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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N2O2
Molecular Weight 218.2518
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Methyl-2-propyl-3H-benzimidazole-5-carboxylic acid

SMILES

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

InChI

InChIKey=XWAJTVCEILFDGU-UHFFFAOYSA-N
InChI=1S/C12H14N2O2/c1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C12H14N2O2
Molecular Weight 218.2518
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 17:23:47 GMT 2025
Edited
by admin
on Wed Apr 02 17:23:47 GMT 2025
Record UNII
PCA9BS2RT9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Propyl-4-methyl-1H-benzimidazole-6-carboxylic acid
Preferred Name English
7-Methyl-2-propyl-3H-benzimidazole-5-carboxylic acid
Systematic Name English
Code System Code Type Description
CAS
152628-03-0
Created by admin on Wed Apr 02 17:23:47 GMT 2025 , Edited by admin on Wed Apr 02 17:23:47 GMT 2025
PRIMARY
FDA UNII
PCA9BS2RT9
Created by admin on Wed Apr 02 17:23:47 GMT 2025 , Edited by admin on Wed Apr 02 17:23:47 GMT 2025
PRIMARY
PUBCHEM
10262831
Created by admin on Wed Apr 02 17:23:47 GMT 2025 , Edited by admin on Wed Apr 02 17:23:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID80437532
Created by admin on Wed Apr 02 17:23:47 GMT 2025 , Edited by admin on Wed Apr 02 17:23:47 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT