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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H14ClN2
Molecular Weight 257.738
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 5-Chloro-1,2-dimethyl-3-phenyl-1H-benzimidazolium

SMILES

CN1C2=CC=C(Cl)C=C2[N+](=C1C)C3=CC=CC=C3

InChI

InChIKey=QOKTZDDBXPGNGF-UHFFFAOYSA-N
InChI=1S/C15H14ClN2/c1-11-17(2)14-9-8-12(16)10-15(14)18(11)13-6-4-3-5-7-13/h3-10H,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C15H14ClN2
Molecular Weight 257.738
Charge 1
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 Sat Dec 16 14:24:34 UTC 2023
Edited
by admin
on Sat Dec 16 14:24:34 UTC 2023
Record UNII
3J42JT2XJM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Chloro-1,2-dimethyl-3-phenyl-1H-benzimidazolium
Systematic Name English
1H-Benzimidazolium, 5-chloro-1,2-dimethyl-3-phenyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
91984032
Created by admin on Sat Dec 16 14:24:34 UTC 2023 , Edited by admin on Sat Dec 16 14:24:34 UTC 2023
PRIMARY
CAS
788108-14-5
Created by admin on Sat Dec 16 14:24:34 UTC 2023 , Edited by admin on Sat Dec 16 14:24:34 UTC 2023
PRIMARY
FDA UNII
3J42JT2XJM
Created by admin on Sat Dec 16 14:24:34 UTC 2023 , Edited by admin on Sat Dec 16 14:24:34 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
IONIC MOIETY
Related Record Type Details
PARENT -> IMPURITY