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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid

ChEBI ID	CHEBI:134314

ChEBI ASCII Name	2-(5-amino-4-cyano-1H-imidazol-1-yl)-5-(4-methylpiperazin-1-yl)benzoic acid

Definition	A member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by a 5-amino-4-cyano-1H-imidazol-1-yl group while the hydrogen at position 5 has been replaced by a 4-methylpiperazin-1-yl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	kalra

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C16H18N6O2

Net Charge

Average Mass

326.354

Monoisotopic Mass

326.14912

InChI

InChI=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)

InChIKey

YNIGPIVXYIOFOE-UHFFFAOYSA-N

SMILES

C1=CC(=CC(=C1N2C(=C(N=C2)C#N)N)C(=O)O)N3CCN(CC3)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	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

Last Modified

13 April 2017