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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid
ChEBI ID CHEBI:133187
ChEBI ASCII Name 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H15N3O3
Net Charge 0
Average Mass 261.277
Monoisotopic Mass 261.11134
InChI InChI=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)
InChIKey CLQMBPJKHLGMQK-UHFFFAOYSA-N
SMILES C1(C(N=C(N1)C2=C(C=CC=N2)C(=O)O)=O)(C(C)C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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 Xref Database
393 PPDB
View more database links
Last Modified
10 September 2016
General Comment
2016-09-08 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-imazapyr and (S)-imazapyr] and for the racemate (imazapyr).