(5-{1-[2-(furan-2-yl)-2-(pyrrolidin-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}furan-2-yl)methanol

• ChemBase ID: 450230
• Molecular Formular: C24H25N3O3
• Molecular Mass: 403.4736
• Monoisotopic Mass: 403.18959168
• SMILES: c1(n(cnc1c1ccccc1)CC(N1CCCC1)c1occc1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1n(cnc1c1ccccc1)CC(c1ccco1)N1CCCC1
• InChI: InChI=1S/C24H25N3O3/c28-16-19-10-11-22(30-19)24-23(18-7-2-1-3-8-18)25-17-27(24)15-20(21-9-6-14-29-21)26-12-4-5-13-26/h1-3,6-11,14,17,20,28H,4-5,12-13,15-16H2
• InChIKey: RAJUNSCSFBWOBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.743764
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0069260555
• LogD (pH = 7.4): 1.6836642
• Log P: 3.1605809
• Molar Refractivity: 115.0055 cm^3
• Polarizability: 46.616795 Å^3
• Polar Surface Area: 67.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.26
• LOG S: -3.92
• Polar Surface Area: 67.57 Å^2
• Rotatable Bonds: 7