2-{2-[3-(furan-2-yl)phenyl]-1H-imidazol-1-yl}ethan-1-ol

• ChemBase ID: 460772
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: c1(n(ccn1)CCO)c1cc(c2occc2)ccc1
• Canonical SMILES: OCCn1ccnc1c1cccc(c1)c1ccco1
• InChI: InChI=1S/C15H14N2O2/c18-9-8-17-7-6-16-15(17)13-4-1-3-12(11-13)14-5-2-10-19-14/h1-7,10-11,18H,8-9H2
• InChIKey: JIQXJTBHZSFXPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[3-(furan-2-yl)phenyl]-1H-imidazol-1-yl}ethan-1-ol
• IUPAC Traditional name: 2-{2-[3-(furan-2-yl)phenyl]imidazol-1-yl}ethanol
• Synonyms: 2-{2-[3-(2-furyl)phenyl]-1H-imidazol-1-yl}ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.457242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5436121
• LogD (pH = 7.4): 2.1007562
• Log P: 2.120592
• Molar Refractivity: 82.8305 cm^3
• Polarizability: 29.468405 Å^3
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.07
• LOG S: -2.82
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 4