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

• ChemBase ID: 865749
• Molecular Formular: C19H16N4O2
• Molecular Mass: 332.35594
• Monoisotopic Mass: 332.12732577
• SMILES: c1(n(c2cnc(Nc3ccccc3)cc2)ccn1)c1oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)c1nccn1c1ccc(nc1)Nc1ccccc1
• InChI: InChI=1S/C19H16N4O2/c24-13-16-7-8-17(25-16)19-20-10-11-23(19)15-6-9-18(21-12-15)22-14-4-2-1-3-5-14/h1-12,24H,13H2,(H,21,22)
• InChIKey: KWXALLBISMJIRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.701114
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6110463
• LogD (pH = 7.4): 2.7881203
• Log P: 2.7907894
• Molar Refractivity: 114.8351 cm^3
• Polarizability: 36.85068 Å^3
• Polar Surface Area: 76.11 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: 2.36
• LOG S: -3.64
• Polar Surface Area: 76.11 Å^2
• Rotatable Bonds: 5