Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate

CAS 144689-93-0  ·  C12H20N2O3  ·  MW 240.30 g/mol

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3D model Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate, CAS 144689-93-0, molecular formula C12H20N2O3, molar mass 240.30 g/mol
About Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate

Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate is a chemical compound registered under number CAS 144689-93-0, with the molecular formula C12H20N2O3, and a molar mass of 240.30 g/mol.

The molecule contains 37 atoms connected by 37 chemical bonds. The full systematic IUPAC name of this compound is ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate. 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 = 1.5 (positive value, a lipophilic compound), polar surface area PSA = 75.2 Ų, 2 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC12H20N2O3
Masa molowa240.30 g/mol
IUPACethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC
InChIKeyKZBJJAFGNMRRHN-UHFFFAOYSA-N
logP (XLogP3)1.5
PSA75.2 Ų
HBD / HBA2 / 4
PubChem CIDCID 10562026 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
GHS09
GHS09
Scientific literature

Related literature

15 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1993: 1 articles19932011: 1 articles2020: 1 articles2023: 2 articles20232024: 1 articles2025: 6 articles2026: 1 articles2026

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate · Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate · RefChem:595198 · 604-434-7 · 144689-93-0 · Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate · Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate · 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylic acid ethyl ester · MFCD07787565 · Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate · Ethyl 4-(2-Hydroxy-2-propyl)-2-propyl-1H-imidazole-5-carboxylate · Olmesartan Impurity 63 · 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester · KZBJJAFGNMRRHN-UHFFFAOYSA-N · 1H-imidazole-4-carboxylic acid,5-(1-hydroxy-1-methylethyl)-2-propyl-,ethyl ester
Data sources
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Model
Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate · 144689-93-0
License
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MolGod Scientific
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Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate (CAS 144689-93-0) →
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Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate →
Source data
PubChem CID 10562026 ↗
SHA-256 (STL)
50c2951d9d229356637695fd94c3af16c28bfd10a7981638c9c2992543968bf4
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