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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21ClN6
Molecular Weight 404.895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[4-[[5-(Azidomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzonitrile

SMILES

CCCCC1=NC(Cl)=C(CN=[N+]=[N-])N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChIKey=ZFSXKEVISUTRLW-UHFFFAOYSA-N
InChI=1S/C22H21ClN6/c1-2-3-8-21-27-22(23)20(14-26-28-25)29(21)15-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12H,2-3,8,14-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C22H21ClN6
Molecular Weight 404.895
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:20:12 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:12 GMT 2023
Record UNII
F336HQ9H3R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[4-[[5-(Azidomethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzonitrile
Systematic Name English
[1,1′-Biphenyl]-2-carbonitrile, 4′-[[5-(azidomethyl)-2-butyl-4-chloro-1H-imidazol-1-yl]methyl]-
Systematic Name English
4′-[[5-(Azidomethyl)-2-butyl-4-chloro-1H-imidazol-1-yl]methyl][1,1′-biphenyl]-2-carbonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
F336HQ9H3R
Created by admin on Sat Dec 16 19:20:12 GMT 2023 , Edited by admin on Sat Dec 16 19:20:12 GMT 2023
PRIMARY
PUBCHEM
164761197
Created by admin on Sat Dec 16 19:20:12 GMT 2023 , Edited by admin on Sat Dec 16 19:20:12 GMT 2023
PRIMARY
CAS
2755908-48-4
Created by admin on Sat Dec 16 19:20:12 GMT 2023 , Edited by admin on Sat Dec 16 19:20:12 GMT 2023
PRIMARY