1-(oxan-4-yl)-4-phenyl-5-(2-phenylpropyl)-1H-imidazole

• ChemBase ID: 862452
• Molecular Formular: C23H26N2O
• Molecular Mass: 346.46534
• Monoisotopic Mass: 346.20451346
• SMILES: c1(n(cnc1c1ccccc1)C1CCOCC1)CC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)Cc1n(cnc1c1ccccc1)C1CCOCC1
• InChI: InChI=1S/C23H26N2O/c1-18(19-8-4-2-5-9-19)16-22-23(20-10-6-3-7-11-20)24-17-25(22)21-12-14-26-15-13-21/h2-11,17-18,21H,12-16H2,1H3
• InChIKey: SXMACTUWHHGSKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-4-yl)-4-phenyl-5-(2-phenylpropyl)-1H-imidazole
• IUPAC Traditional name: 1-(oxan-4-yl)-4-phenyl-5-(2-phenylpropyl)imidazole
• Synonyms: 4-phenyl-5-(2-phenylpropyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0735064
• LogD (pH = 7.4): 4.6392136
• Log P: 4.660189
• Molar Refractivity: 106.0675 cm^3
• Polarizability: 42.230457 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.03
• LOG S: -5.17
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 5