(5-{1-[(5-methoxy-1H-indol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol

• ChemBase ID: 701444
• Molecular Formular: C24H21N3O3
• Molecular Mass: 399.44184
• Monoisotopic Mass: 399.15829155
• SMILES: c1(n(cnc1c1ccccc1)Cc1[nH]c2c(c1)cc(cc2)OC)c1oc(cc1)CO
• Canonical SMILES: COc1ccc2c(c1)cc([nH]2)Cn1cnc(c1c1ccc(o1)CO)c1ccccc1
• InChI: InChI=1S/C24H21N3O3/c1-29-19-7-9-21-17(12-19)11-18(26-21)13-27-15-25-23(16-5-3-2-4-6-16)24(27)22-10-8-20(14-28)30-22/h2-12,15,26,28H,13-14H2,1H3
• InChIKey: PXZDYINHSGJKKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 3.4331145
• LogD (pH = 7.4): 3.4766269
• Log P: 3.477217
• Molar Refractivity: 114.8115 cm^3
• Polarizability: 47.526993 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.741968
• H Acceptors: 3
• H Donor: 2

供应商提供(Chembridge)

• Log P: 3.71
• LOG S: -5.28
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 2