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CHEBI:134315 - 2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid

ChEBI IDCHEBI:134315
ChEBI Name2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid
Stars
ASCII Name2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid
DefinitionA member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by a 5-amino-4-cyano-1H-imidazol-1-yl group.
Last Modified11 April 2017
Submitterkalra
DownloadsMolfile
FormulaC11H8N4O2
Net Charge0
Average Mass228.211
Monoisotopic Mass228.06473
SMILESN#Cc1ncn(-c2ccccc2C(=O)O)c1N
InChIInChI=1S/C11H8N4O2/c12-5-8-10(13)15(6-14-8)9-4-2-1-3-7(9)11(16)17/h1-4,6H,13H2,(H,16,17)
InChIKeyNDQXNDCTMFJRFD-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a aminoimidazole (CHEBI:22512)
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a benzoic acids (CHEBI:22723)
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a nitrile (CHEBI:18379)
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a primary amino compound (CHEBI:50994)
IUPAC Name 
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid