4-[1-(oxan-2-ylmethyl)-4-phenyl-1H-imidazol-5-yl]quinoline

• ChemBase ID: 656332
• Molecular Formular: C24H23N3O
• Molecular Mass: 369.45892
• Monoisotopic Mass: 369.18411237
• SMILES: c1(n(cnc1c1ccccc1)CC1OCCCC1)c1c2c(ncc1)cccc2
• Canonical SMILES: C1CCC(OC1)Cn1cnc(c1c1ccnc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C24H23N3O/c1-2-8-18(9-3-1)23-24(21-13-14-25-22-12-5-4-11-20(21)22)27(17-26-23)16-19-10-6-7-15-28-19/h1-5,8-9,11-14,17,19H,6-7,10,15-16H2
• InChIKey: GMZPQEQYRVPWEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(oxan-2-ylmethyl)-4-phenyl-1H-imidazol-5-yl]quinoline
• IUPAC Traditional name: 4-[3-(oxan-2-ylmethyl)-5-phenylimidazol-4-yl]quinoline
• Synonyms: 4-[4-phenyl-1-(tetrahydro-2H-pyran-2-ylmethyl)-1H-imidazol-5-yl]quinoline

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 4.23
• LOG S: -5.51
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0

JChem

• Molar Refractivity: 110.4644 cm^3
• Polarizability: 46.80375 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.479338
• LogD (pH = 7.4): 4.69591
• Log P: 4.6995664