5-{[5-(2,5-dimethylphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-1-methylpyrrolidin-2-one

• ChemBase ID: 863403
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: c1(n(cnc1c1ccccc1)CC1N(C(=O)CC1)C)c1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(c(c1)c1n(cnc1c1ccccc1)CC1CCC(=O)N1C)C
• InChI: InChI=1S/C23H25N3O/c1-16-9-10-17(2)20(13-16)23-22(18-7-5-4-6-8-18)24-15-26(23)14-19-11-12-21(27)25(19)3/h4-10,13,15,19H,11-12,14H2,1-3H3
• InChIKey: ZWDCEGRHMKOHHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[5-(2,5-dimethylphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-1-methylpyrrolidin-2-one
• IUPAC Traditional name: 5-{[5-(2,5-dimethylphenyl)-4-phenylimidazol-1-yl]methyl}-1-methylpyrrolidin-2-one
• Synonyms: 5-{[5-(2,5-dimethylphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-1-methylpyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9943297
• LogD (pH = 7.4): 4.2334986
• Log P: 4.2379055
• Molar Refractivity: 108.6256 cm^3
• Polarizability: 44.205845 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.77
• LOG S: -5.04
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4