5-(1-benzofuran-5-yl)-1-[(3S,4R)-4-methoxyoxolan-3-yl]-4-phenyl-1H-imidazole

• ChemBase ID: 841871
• Molecular Formular: C22H20N2O3
• Molecular Mass: 360.4058
• Monoisotopic Mass: 360.14739251
• SMILES: n1(c(c(nc1)c1ccccc1)c1cc2c(occ2)cc1)[C@@H]1[C@H](COC1)OC
• Canonical SMILES: CO[C@H]1COC[C@@H]1n1cnc(c1c1ccc2c(c1)cco2)c1ccccc1
• InChI: InChI=1S/C22H20N2O3/c1-25-20-13-26-12-18(20)24-14-23-21(15-5-3-2-4-6-15)22(24)17-7-8-19-16(11-17)9-10-27-19/h2-11,14,18,20H,12-13H2,1H3/t18-,20-/m0/s1
• InChIKey: LLBAAKLYMMVFJE-ICSRJNTNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-benzofuran-5-yl)-1-[(3S,4R)-4-methoxyoxolan-3-yl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(1-benzofuran-5-yl)-1-[(3S,4R)-4-methoxyoxolan-3-yl]-4-phenylimidazole
• Synonyms: 5-(1-benzofuran-5-yl)-1-[(3S*,4R*)-4-methoxytetrahydrofuran-3-yl]-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.474336
• LogD (pH = 7.4): 3.6881611
• Log P: 3.6919355
• Molar Refractivity: 101.9869 cm^3
• Polarizability: 43.283875 Å^3
• Polar Surface Area: 49.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.75
• LOG S: -5.03
• Polar Surface Area: 49.42 Å^2
• Rotatable Bonds: 4