Molecule ID: 76959746

IUPAC Name: 5-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoic acid

Description: The molecule is a 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. It is an enantiomer of a 6-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-m-toluic acid.

SMILES: Cc1ccc(C2=NC(=O)[C@@](C)(C(C)C)N2)c(C(=O)O)c1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][#Branch2][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1]

InChI: InChI=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

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: 2.3