EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134314 - 2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid

ChEBI IDCHEBI:134314
ChEBI Name2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid
Stars
ASCII Name2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-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DefinitionA member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by a 5-amino-4-cyano-1H-imidazol-1-yl group while the hydrogen at position 5 has been replaced by a 4-methylpiperazin-1-yl group.
Last Modified13 April 2017
Submitterkalra
DownloadsMolfile
FormulaC16H18N6O2
Net Charge0
Average Mass326.360
Monoisotopic Mass326.14912
SMILESCN1CCN(c2ccc(-n3cnc(C#N)c3N)c(C(=O)O)c2)CC1
InChIInChI=1S/C16H18N6O2/c1-20-4-6-21(7-5-20)11-2-3-14(12(8-11)16(23)24)22-10-19-13(9-17)15(22)18/h2-3,8,10H,4-7,18H2,1H3,(H,23,24)
InChIKeyYNIGPIVXYIOFOE-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)-5-(4-methylpiperazin-1-yl)benzoic acid (CHEBI:134314) is a N-arylpiperazine (CHEBI:46848)
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid (CHEBI:134314) is a N-methylpiperazine (CHEBI:46920)
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid (CHEBI:134314) is a aminoimidazole (CHEBI:22512)
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid (CHEBI:134314) is a benzoic acids (CHEBI:22723)
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid (CHEBI:134314) is a nitrile (CHEBI:18379)
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid (CHEBI:134314) is a primary amino compound (CHEBI:50994)
IUPAC Name 
2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid