{5-[1-(6-phenoxypyridin-3-yl)-1H-imidazol-2-yl]furan-2-yl}methanol

• ChemBase ID: 707057
• Molecular Formular: C19H15N3O3
• Molecular Mass: 333.3407
• Monoisotopic Mass: 333.11134136
• SMILES: c1(n(c2cnc(Oc3ccccc3)cc2)ccn1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1nccn1c1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C19H15N3O3/c23-13-16-7-8-17(24-16)19-20-10-11-22(19)14-6-9-18(21-12-14)25-15-4-2-1-3-5-15/h1-12,23H,13H2
• InChIKey: XUUOXTUVSFTXMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[1-(6-phenoxypyridin-3-yl)-1H-imidazol-2-yl]furan-2-yl}methanol
• IUPAC Traditional name: {5-[1-(6-phenoxypyridin-3-yl)imidazol-2-yl]furan-2-yl}methanol
• Synonyms: {5-[1-(6-phenoxypyridin-3-yl)-1H-imidazol-2-yl]-2-furyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.701114
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8076663
• LogD (pH = 7.4): 2.8505697
• Log P: 2.8511508
• Molar Refractivity: 112.5897 cm^3
• Polarizability: 36.448833 Å^3
• Polar Surface Area: 73.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.2
• LOG S: -3.51
• Polar Surface Area: 73.31 Å^2
• Rotatable Bonds: 5