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CHEBI:133187 - 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid

ChEBI IDCHEBI:133187
ChEBI Name2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid
Stars
ASCII Name2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid
DefinitionA pyridinemonocarboxylic acid that is nicotinic acid which is substituted at position 2 by a 4,5-dihydro-imidazol-2-yl group, which in turn is substituted at positions 4, 4, and 5 by isopropyl, ethyl, and oxo groups, respectively.
Last Modified10 September 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H15N3O3
Net Charge0
Average Mass261.281
Monoisotopic Mass261.11134
SMILESCC(C)C1(C)NC(c2ncccc2C(=O)O)=NC1=O
InChIInChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
InChIKeyCLQMBPJKHLGMQK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CHEBI:133187) is a imidazolines (CHEBI:53095)
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CHEBI:133187) is a imidazolone (CHEBI:20432)
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CHEBI:133187) is a pyridinemonocarboxylic acid (CHEBI:26420)
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CHEBI:133187) is a pyridines (CHEBI:26421)
Incoming Relation(s)
(R)-imazapyr (CHEBI:133188) is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CHEBI:133187)
(S)-imazapyr (CHEBI:133189) is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CHEBI:133187)
IUPAC Name 
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid
Manual XrefsDatabases
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