1-[2-(2-methoxyphenyl)ethyl]-5-(oxan-4-yl)-4-phenyl-1H-imidazole

• ChemBase ID: 657975
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: n1c(c(n(c1)CCc1c(OC)cccc1)C1CCOCC1)c1ccccc1
• Canonical SMILES: COc1ccccc1CCn1cnc(c1C1CCOCC1)c1ccccc1
• InChI: InChI=1S/C23H26N2O2/c1-26-21-10-6-5-7-18(21)11-14-25-17-24-22(19-8-3-2-4-9-19)23(25)20-12-15-27-16-13-20/h2-10,17,20H,11-16H2,1H3
• InChIKey: MAAKDGGVCFQUDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-methoxyphenyl)ethyl]-5-(oxan-4-yl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 1-[2-(2-methoxyphenyl)ethyl]-5-(oxan-4-yl)-4-phenylimidazole
• Synonyms: 1-[2-(2-methoxyphenyl)ethyl]-4-phenyl-5-(tetrahydro-2H-pyran-4-yl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 3.6818483
• LogD (pH = 7.4): 4.2135434
• Log P: 4.2315307
• Molar Refractivity: 108.1991 cm^3
• Polarizability: 42.8641 Å^3
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 3.79
• LOG S: -5.08
• Polar Surface Area: 36.28 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0