EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134422 - 5-amino-1-benzoylimidazole-4-carbonitrile

ChEBI IDCHEBI:134422
ChEBI Name5-amino-1-benzoylimidazole-4-carbonitrile
Stars
DefinitionAn aminoimidazole that is 5-amino-1H-imidazole which is substituted at positions 1 and 4 by benzoyl and cyano groups, respectively.
Last Modified17 March 2017
Submitterkalra
DownloadsMolfile
FormulaC11H8N4O
Net Charge0
Average Mass212.212
Monoisotopic Mass212.06981
SMILESN#Cc1ncn(C(=O)c2ccccc2)c1N
InChIInChI=1S/C11H8N4O/c12-6-9-10(13)15(7-14-9)11(16)8-4-2-1-3-5-8/h1-5,7H,13H2
InChIKeyAVBZFRJEUYWRRB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-amino-1-benzoylimidazole-4-carbonitrile (CHEBI:134422) is a N-acylimidazole (CHEBI:38308)
5-amino-1-benzoylimidazole-4-carbonitrile (CHEBI:134422) is a aminoimidazole (CHEBI:22512)
5-amino-1-benzoylimidazole-4-carbonitrile (CHEBI:134422) is a nitrile (CHEBI:18379)
5-amino-1-benzoylimidazole-4-carbonitrile (CHEBI:134422) is a primary amino compound (CHEBI:50994)
IUPAC Names 
5-amino-1-benzoyl-4-cyanoimidazole
5-amino-1-benzoyl-1H-imidazole-4-carbonitrile