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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N2
Molecular Weight 173.2343
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-Benzyl-1-methyl-1H-imidazol-3-ium

SMILES

C[N+]1=CN(CC2=CC=CC=C2)C=C1

InChI

InChIKey=COSSPXYCRNRXRX-UHFFFAOYSA-N
InChI=1S/C11H13N2/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/q+1

HIDE SMILES / InChI

Molecular Formula C11H13N2
Molecular Weight 173.2343
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 Mon Mar 31 22:21:30 GMT 2025
Edited
by admin
on Mon Mar 31 22:21:30 GMT 2025
Record UNII
PVU3C9GV4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzyl-3-methylimidazolium
Preferred Name English
3-Benzyl-1-methyl-1H-imidazol-3-ium
Systematic Name English
1-Methyl-3-(phenylmethyl)-1H-imidazolium
Systematic Name English
1H-Imidazolium, 1-methyl-3-(phenylmethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10560336
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
FDA UNII
PVU3C9GV4H
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
CAS
52461-82-2
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID6048096
Created by admin on Mon Mar 31 22:21:30 GMT 2025 , Edited by admin on Mon Mar 31 22:21:30 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY
SALT/SOLVATE -> PARENT