8-[1-(1-methylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]quinoline

• ChemBase ID: 616652
• Molecular Formular: C24H24N4
• Molecular Mass: 368.47416
• Monoisotopic Mass: 368.20009679
• SMILES: c1(n(cnc1c1ccccc1)C1CCN(CC1)C)c1c2ncccc2ccc1
• Canonical SMILES: CN1CCC(CC1)n1cnc(c1c1cccc2c1nccc2)c1ccccc1
• InChI: InChI=1S/C24H24N4/c1-27-15-12-20(13-16-27)28-17-26-23(19-7-3-2-4-8-19)24(28)21-11-5-9-18-10-6-14-25-22(18)21/h2-11,14,17,20H,12-13,15-16H2,1H3
• InChIKey: ATWGCRVEFDMWBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[1-(1-methylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]quinoline
• IUPAC Traditional name: 8-[3-(1-methylpiperidin-4-yl)-5-phenylimidazol-4-yl]quinoline
• Synonyms: 8-[1-(1-methylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4374914
• LogD (pH = 7.4): 1.9821392
• Log P: 3.8632147
• Molar Refractivity: 113.0598 cm^3
• Polarizability: 47.708275 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.53
• LOG S: -3.89
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 3