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

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

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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
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC14H19N3O2
Masa molowa261.32 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 — Działa toksycznie po połknięciu

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)

1992: 1 articles19921994: 1 articles1995: 1 articles2003: 1 articles2006: 1 articles20062013: 7 articles2015: 1 articles2022: 1 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.

Data sources
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