(5-{1-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol

• ChemBase ID: 380206
• Molecular Formular: C23H20N4O2
• Molecular Mass: 384.4305
• Monoisotopic Mass: 384.1586259
• SMILES: c1(n(cnc1c1ccccc1)Cc1nc2c([nH]1)ccc(c2)C)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1n(cnc1c1ccccc1)Cc1nc2c([nH]1)ccc(c2)C
• InChI: InChI=1S/C23H20N4O2/c1-15-7-9-18-19(11-15)26-21(25-18)12-27-14-24-22(16-5-3-2-4-6-16)23(27)20-10-8-17(13-28)29-20/h2-11,14,28H,12-13H2,1H3,(H,25,26)
• InChIKey: ISERBCGNZDUDOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{3-[(5-methyl-1H-1,3-benzodiazol-2-yl)methyl]-5-phenylimidazol-4-yl}furan-2-yl)methanol
• Synonyms: (5-{1-[(5-methyl-1H-benzimidazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.288841
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8225768
• LogD (pH = 7.4): 3.4686208
• Log P: 3.4889712
• Molar Refractivity: 110.663 cm^3
• Polarizability: 45.8921 Å^3
• Polar Surface Area: 79.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.62
• LOG S: -5.09
• Polar Surface Area: 79.87 Å^2
• Rotatable Bonds: 5