U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N2O2
Molecular Weight 232.2783
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid methyl ester

SMILES

CCCC1=NC2=C(N1)C=C(C=C2C)C(=O)OC

InChI

InChIKey=DEFDQXCQBZEOGY-UHFFFAOYSA-N
InChI=1S/C13H16N2O2/c1-4-5-11-14-10-7-9(13(16)17-3)6-8(2)12(10)15-11/h6-7H,4-5H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H16N2O2
Molecular Weight 232.2783
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:32:03 GMT 2025
Edited
by admin
on Wed Apr 02 17:32:03 GMT 2025
Record UNII
6ATE8HY9GZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Propyl-4-methyl-1H-benzimidazole-6-carboxylic acid methyl ester
Preferred Name English
4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
10130835
Created by admin on Wed Apr 02 17:32:03 GMT 2025 , Edited by admin on Wed Apr 02 17:32:03 GMT 2025
PRIMARY
FDA UNII
6ATE8HY9GZ
Created by admin on Wed Apr 02 17:32:03 GMT 2025 , Edited by admin on Wed Apr 02 17:32:03 GMT 2025
PRIMARY
CAS
152628-00-7
Created by admin on Wed Apr 02 17:32:03 GMT 2025 , Edited by admin on Wed Apr 02 17:32:03 GMT 2025
PRIMARY