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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N3O
Molecular Weight 211.2194
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((5-FORMYL-1H-IMIDAZOL-1-YL)METHYL)BENZONITRILE

SMILES

O=CC1=CN=CN1CC2=CC=C(C=C2)C#N

InChI

InChIKey=AMUOEEKBBOOOCV-UHFFFAOYSA-N
InChI=1S/C12H9N3O/c13-5-10-1-3-11(4-2-10)7-15-9-14-6-12(15)8-16/h1-4,6,8-9H,7H2

HIDE SMILES / InChI

Molecular Formula C12H9N3O
Molecular Weight 211.2194
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 05:37:32 GMT 2025
Edited
by admin
on Wed Apr 02 05:37:32 GMT 2025
Record UNII
63M9BY29L9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((5-FORMYL-1H-IMIDAZOL-1-YL)METHYL)BENZONITRILE
Systematic Name English
1-(4-CYANOBENZYL)-5-IMIDAZOLECARBOXALDEHYDE
Preferred Name English
1-(P-CYANOBENZYL)IMIDAZOLE-5-CARBOXALDEHYDE
Common Name English
1-(4-CYANOBENZYL)IMIDAZOLE-5-CARBOXALDEHYDE
Common Name English
1-(P-CYANOBENZYL)-5-IMIDAZOLECARBOXALDEHYDE
Common Name English
BENZONITRILE, 4-((5-FORMYL-1H-IMIDAZOL-1-YL)METHYL)-
Systematic Name English
4-((5-METHANOYLIMIDAZOL-1-YL)METHYL)BENZENECARBONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
63M9BY29L9
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY
PUBCHEM
10632289
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID30442752
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY
CHEMBL
611680
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY
CAS
183500-37-0
Created by admin on Wed Apr 02 05:37:32 GMT 2025 , Edited by admin on Wed Apr 02 05:37:32 GMT 2025
PRIMARY