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CHEBI:138117 - 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid

Default Structure
ChEBI IDCHEBI:138117
ChEBI Name2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid
Stars
ASCII Name2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid
DefinitionAn imidazolone that is 1,5-dihydro-4H-imidazol-4-one which is substituted at position 2 by a 2-carboxy-4-methylphenyl group, and at position 5 by methyl and isopropyl groups.
Last Modified9 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H18N2O3
Net Charge0
Average Mass274.320
Monoisotopic Mass274.13174
SMILESCc1ccc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1
InChIInChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)10-6-5-9(3)7-11(10)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20)
InChIKeyLUZQQSLTOCTPIN-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)-5-methylbenzoic acid (CHEBI:138117) is a benzoic acids (CHEBI:22723)
2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid (CHEBI:138117) is a imidazolone (CHEBI:20432)
Incoming Relation(s)
methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoate (CHEBI:138122) has functional parent 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid (CHEBI:138117)
6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138118) is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid (CHEBI:138117)
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138119) is a 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid (CHEBI:138117)