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

Details

Stereochemistry UNKNOWN
Molecular Formula C14H13N3O
Molecular Weight 239.2725
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-BENZIMIDAZOLE-5-METHANOL, 2-AMINO-.ALPHA.-PHENYL-

SMILES

NC1=NC2=CC=C(C=C2N1)C(O)C3=CC=CC=C3

InChI

InChIKey=IUOONJFBASBHAA-UHFFFAOYSA-N
InChI=1S/C14H13N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8,13,18H,(H3,15,16,17)

HIDE SMILES / InChI

Molecular Formula C14H13N3O
Molecular Weight 239.2725
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 14:00:41 UTC 2023
Edited
by admin
on Thu Jul 06 14:00:41 UTC 2023
Record UNII
XGV749SA82
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-BENZIMIDAZOLE-5-METHANOL, 2-AMINO-.ALPHA.-PHENYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
156347
Created by admin on Thu Jul 06 14:00:41 UTC 2023 , Edited by admin on Thu Jul 06 14:00:41 UTC 2023
PRIMARY
CAS
75501-05-2
Created by admin on Thu Jul 06 14:00:41 UTC 2023 , Edited by admin on Thu Jul 06 14:00:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID60996970
Created by admin on Thu Jul 06 14:00:41 UTC 2023 , Edited by admin on Thu Jul 06 14:00:41 UTC 2023
PRIMARY
FDA UNII
XGV749SA82
Created by admin on Thu Jul 06 14:00:41 UTC 2023 , Edited by admin on Thu Jul 06 14:00:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE