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Details

Stereochemistry ACHIRAL
Molecular Formula C25H21N3O3
Molecular Weight 411.4525
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 1-[(2?-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate

SMILES

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C4=C(C=CC=C4)C#N)C(=CC=C2)C(=O)OC

InChI

InChIKey=KSXLHOFDCDKQLH-UHFFFAOYSA-N
InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 1-[(2?-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate
Systematic Name English
1-[(2?-Cyano-1,1?-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic acid methyl ester
Preferred Name English
1H-Benzimidazole-7-carboxylic acid, 1-[(2?-cyano[1,1?-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester
Systematic Name English
Methyl 1-[(2?-cyano[1,1?-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate
Systematic Name English
3-[(2?-Cyanobiphenyl-4-yl)methyl]-2-ethoxy-3H-benzimidazole-4-carboxylic acid methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
15654674
Created by admin on Wed Apr 02 17:51:54 GMT 2025 , Edited by admin on Wed Apr 02 17:51:54 GMT 2025
PRIMARY
FDA UNII
RPD4K5DSF6
Created by admin on Wed Apr 02 17:51:54 GMT 2025 , Edited by admin on Wed Apr 02 17:51:54 GMT 2025
PRIMARY
CAS
139481-44-0
Created by admin on Wed Apr 02 17:51:54 GMT 2025 , Edited by admin on Wed Apr 02 17:51:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID80576394
Created by admin on Wed Apr 02 17:51:54 GMT 2025 , Edited by admin on Wed Apr 02 17:51:54 GMT 2025
PRIMARY