Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate

CAS 3543-73-5  ·  C14H19N3O2  ·  MW 261.32 g/mol

Full record: Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate — Safety Data Sheet →

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3D model Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate, CAS 3543-73-5, molecular formula C14H19N3O2, molar mass 261.32 g/mol

Model views

  • Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate (CAS 3543-73-5) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate (CAS 3543-73-5) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate (CAS 3543-73-5) – 2D structure, MolGod Viewer
    2D structure

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About Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate

Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate is a chemical compound registered under number CAS 3543-73-5, with the molecular formula C14H19N3O2, and a molar mass of 261.32 g/mol.

The molecule contains 38 atoms connected by 39 chemical bonds. The full systematic IUPAC name of this compound is ethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate. 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, the partition coefficient logP = 1.6 (positive value, a lipophilic compound), polar surface area PSA = 70.1 Ų, 1 donors and 4 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC14H19N3O2
Molar mass261.32 g/mol
IUPACethyl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate
SMILESCCOC(=O)CCCC1=NC2=C(N1C)C=CC(=C2)N
InChIKeyJUMGOLYNZBZPKE-UHFFFAOYSA-N
logP (XLogP3)1.6
PSA70.1 Ų
HBD / HBA1 / 4
PubChem CIDCID 29983307 ↗
GHS safety

Signal word: Danger

GHS06
GHS06

H301 — Toxic if swallowed

Scientific literature

Brak articles naukowych dla CAS 3543-73-5 w PubMed / OpenAlex / Semantic Scholar.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate · 3543-73-5
InChIKey
JUMGOLYNZBZPKE-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate (CAS 3543-73-5)
License & provenance record
Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate (CAS 3543-73-5) →
MolGod molecule record
Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate →
Source data
PubChem CID 29983307 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
c5616bccecb9c2ce9916952a64f608111721e3ebcf6d19086f0c591cb8e5b198
MD5 (STL)
1a28cedd6053a3e50ea01e096bcfec27
MolGod Identification Number
MG_544-603-752-97
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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