1-methyl-3-{1-[(2S)-oxolan-2-ylmethyl]-4-phenyl-1H-imidazol-5-yl}-1,2-dihydroquinolin-2-one

• ChemBase ID: 456216
• Molecular Formular: C24H23N3O2
• Molecular Mass: 385.45832
• Monoisotopic Mass: 385.17902699
• SMILES: c1(c2n(cnc2c2ccccc2)C[C@H]2OCCC2)c(=O)n(c2c(c1)cccc2)C
• Canonical SMILES: O=c1c(cc2c(n1C)cccc2)c1n(cnc1c1ccccc1)C[C@@H]1CCCO1
• InChI: InChI=1S/C24H23N3O2/c1-26-21-12-6-5-10-18(21)14-20(24(26)28)23-22(17-8-3-2-4-9-17)25-16-27(23)15-19-11-7-13-29-19/h2-6,8-10,12,14,16,19H,7,11,13,15H2,1H3/t19-/m0/s1
• InChIKey: LCGPSTMHGQEUFK-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-{1-[(2S)-oxolan-2-ylmethyl]-4-phenyl-1H-imidazol-5-yl}-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 1-methyl-3-{3-[(2S)-oxolan-2-ylmethyl]-5-phenylimidazol-4-yl}quinolin-2-one
• Synonyms: 1-methyl-3-{4-phenyl-1-[(2S)-tetrahydrofuran-2-ylmethyl]-1H-imidazol-5-yl}quinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6052482
• LogD (pH = 7.4): 3.6061566
• Log P: 3.606168
• Molar Refractivity: 113.5951 cm^3
• Polarizability: 44.540382 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.02
• LOG S: -5.44
• Polar Surface Area: 49.05 Å^2
• Rotatable Bonds: 4