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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O2
Molecular Weight 216.2359
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 1-BENZYLIMIDAZOLE-5-CARBOXYLATE

SMILES

COC(=O)C1=CN=CN1CC2=CC=CC=C2

InChI

InChIKey=DOTNQIPIURWNFJ-UHFFFAOYSA-N
InChI=1S/C12H12N2O2/c1-16-12(15)11-7-13-9-14(11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H12N2O2
Molecular Weight 216.2359
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 Tue Apr 01 19:30:22 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:22 GMT 2025
Record UNII
66RO5I0EOG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-91543
Preferred Name English
METHYL 1-BENZYLIMIDAZOLE-5-CARBOXYLATE
Systematic Name English
1H-IMIDAZOLE-5-CARBOXYLIC ACID, 1-(PHENYLMETHYL)-, METHYL ESTER
Systematic Name English
IMIDAZOLE-5-CARBOXYLIC ACID, 1-BENZYL-, METHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
73941-33-0
Created by admin on Tue Apr 01 19:30:22 GMT 2025 , Edited by admin on Tue Apr 01 19:30:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID30224636
Created by admin on Tue Apr 01 19:30:22 GMT 2025 , Edited by admin on Tue Apr 01 19:30:22 GMT 2025
PRIMARY
NSC
91543
Created by admin on Tue Apr 01 19:30:22 GMT 2025 , Edited by admin on Tue Apr 01 19:30:22 GMT 2025
PRIMARY
FDA UNII
66RO5I0EOG
Created by admin on Tue Apr 01 19:30:22 GMT 2025 , Edited by admin on Tue Apr 01 19:30:22 GMT 2025
PRIMARY
PUBCHEM
96879
Created by admin on Tue Apr 01 19:30:22 GMT 2025 , Edited by admin on Tue Apr 01 19:30:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
277-646-7
Created by admin on Tue Apr 01 19:30:22 GMT 2025 , Edited by admin on Tue Apr 01 19:30:22 GMT 2025
PRIMARY