5-(2-fluoro-5-methylphenyl)-1-(oxan-4-ylmethyl)-4-phenyl-1H-imidazole

• ChemBase ID: 853855
• Molecular Formular: C22H23FN2O
• Molecular Mass: 350.4292232
• Monoisotopic Mass: 350.17944159
• SMILES: c1(n(cnc1c1ccccc1)CC1CCOCC1)c1c(ccc(c1)C)F
• Canonical SMILES: Cc1ccc(c(c1)c1n(cnc1c1ccccc1)CC1CCOCC1)F
• InChI: InChI=1S/C22H23FN2O/c1-16-7-8-20(23)19(13-16)22-21(18-5-3-2-4-6-18)24-15-25(22)14-17-9-11-26-12-10-17/h2-8,13,15,17H,9-12,14H2,1H3
• InChIKey: INGFKLXFXGTTTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluoro-5-methylphenyl)-1-(oxan-4-ylmethyl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(2-fluoro-5-methylphenyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole
• Synonyms: 5-(2-fluoro-5-methylphenyl)-4-phenyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazole

CALCULATED PROPERTIES

JChem

• Polarizability: 41.436478 Å^3
• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.615109
• LogD (pH = 7.4): 4.7544827
• Log P: 4.7566643
• Molar Refractivity: 102.2385 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 27.05 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 0
• Log P: 4.48
• LOG S: -5.58