(5-{1-[4-(pyridin-2-yl)butyl]-1H-imidazol-2-yl}furan-2-yl)methanol

• ChemBase ID: 362511
• Molecular Formular: C17H19N3O2
• Molecular Mass: 297.35166
• Monoisotopic Mass: 297.14772686
• SMILES: c1(c2oc(cc2)CO)n(ccn1)CCCCc1ncccc1
• Canonical SMILES: OCc1ccc(o1)c1nccn1CCCCc1ccccn1
• InChI: InChI=1S/C17H19N3O2/c21-13-15-7-8-16(22-15)17-19-10-12-20(17)11-4-2-6-14-5-1-3-9-18-14/h1,3,5,7-10,12,21H,2,4,6,11,13H2
• InChIKey: CHVWQDHNILLUJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{1-[4-(pyridin-2-yl)butyl]-1H-imidazol-2-yl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{1-[4-(pyridin-2-yl)butyl]imidazol-2-yl}furan-2-yl)methanol
• Synonyms: {5-[1-(4-pyridin-2-ylbutyl)-1H-imidazol-2-yl]-2-furyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705894
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4541327
• LogD (pH = 7.4): 1.866869
• Log P: 1.8746353
• Molar Refractivity: 94.0843 cm^3
• Polarizability: 32.645824 Å^3
• Polar Surface Area: 64.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.7
• LOG S: -0.67
• Polar Surface Area: 64.08 Å^2
• Rotatable Bonds: 7