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CHEBI:138118 - 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid

ChEBI IDCHEBI:138118
ChEBI Name6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
Stars
ASCII Name6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid
DefinitionA 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoic acid in which the chiral centre has R configuration.
Last Modified9 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H18N2O3
Net Charge0
Average Mass274.320
Monoisotopic Mass274.13174
SMILESCc1ccc(C2=N[C@](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)/t15-/m1/s1
InChIKeyLUZQQSLTOCTPIN-OAHLLOKOSA-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)
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-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138118) is enantiomer of 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138119)
Incoming Relation(s)
methyl 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluate (CHEBI:138123) has functional parent 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138118)
rac-6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluic acid (CHEBI:138120) has part 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138118)
6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138119) is enantiomer of 6-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid (CHEBI:138118)
IUPAC Name 
2-[(4R)-4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-5-methylbenzoic acid