2-Imidazolidinone, hydrate (2:1)

CAS 121325-67-5  ·  C6H14N4O3  ·  MW 190.20 g/mol

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3D model 2-Imidazolidinone, hydrate (2:1), CAS 121325-67-5, molecular formula C6H14N4O3, molar mass 190.20 g/mol

Model views

  • 2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • 2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • 2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5) – 2D structure, MolGod Viewer
    2D structure

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About 2-Imidazolidinone, hydrate (2:1)

2-Imidazolidinone, hydrate (2:1) is a chemical compound registered under number CAS 121325-67-5, with the molecular formula C6H14N4O3, and a molar mass of 190.20 g/mol.

The molecule contains 27 atoms connected by 26 chemical bonds. The full systematic IUPAC name of this compound is bis(imidazolidin-2-one);hydrate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 83.3 Ų, 5 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC6H14N4O3
Molar mass190.20 g/mol
IUPACbis(imidazolidin-2-one);hydrate
SMILESC1CNC(=O)N1.C1CNC(=O)N1.O
InChIKeyKPRJGGOOWATRNT-UHFFFAOYSA-N
logP (XLogP3)—
PSA83.3 Ų
HBD / HBA5 / 3
PubChem CIDCID 2723651 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H319 — Causes serious eye irritation

Scientific literature

Brak articles naukowych dla CAS 121325-67-5 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
121325-67-5 · 2-Imidazolidinone, hydrate (2:1) · RefChem:473551 · 681-162-5 · 2-IMIDAZOLIDONE HEMIHYDRATE · 2-Imidazolidinone hemihydrate · bis(imidazolidin-2-one) hydrate · Imidazolidin-2-one Hydrate · imidazolidin-2-one;hydrate · MFCD02662355 · Imidazolidin-2-one hydrate(2:1) · Imidazolidin-2-oneHydrate · SCHEMBL900110 · KPRJGGOOWATRNT-UHFFFAOYSA-N · AKOS026676673
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/2723651
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5), C6H14N4O3 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

MG-STL-121325-67-5-ENGRAVED · 318,804 △ · 15 MB · SHA-256 124036f9c89f5535

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2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5), C6H14N4O3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
2-Imidazolidinone, hydrate (2:1) · 121325-67-5
InChIKey
KPRJGGOOWATRNT-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — 2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5)
License & provenance record
2-Imidazolidinone, hydrate (2:1) (CAS 121325-67-5) →
MolGod molecule record
2-Imidazolidinone, hydrate (2:1) →
Source data
PubChem CID 2723651 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
445582724fadbae7bfad7b6043b7d3d3e8dab314a109e2afe36b60ad899da650
MD5 (STL)
8724a3cbc04d003a9fb98698b9c24b0f
Model identifier
MG-STL-121325-67-5
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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