3-{2-[5-(2-fluorophenyl)furan-2-yl]-1H-imidazol-1-yl}propan-1-ol

• ChemBase ID: 355451
• Molecular Formular: C16H15FN2O2
• Molecular Mass: 286.3009032
• Monoisotopic Mass: 286.11175595
• SMILES: c1(c2oc(c3c(F)cccc3)cc2)n(ccn1)CCCO
• Canonical SMILES: OCCCn1ccnc1c1ccc(o1)c1ccccc1F
• InChI: InChI=1S/C16H15FN2O2/c17-13-5-2-1-4-12(13)14-6-7-15(21-14)16-18-8-10-19(16)9-3-11-20/h1-2,4-8,10,20H,3,9,11H2
• InChIKey: XLMBBGFKLNADNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[5-(2-fluorophenyl)furan-2-yl]-1H-imidazol-1-yl}propan-1-ol
• IUPAC Traditional name: 3-{2-[5-(2-fluorophenyl)furan-2-yl]imidazol-1-yl}propan-1-ol
• Synonyms: 3-{2-[5-(2-fluorophenyl)-2-furyl]-1H-imidazol-1-yl}propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.923078
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1530206
• LogD (pH = 7.4): 2.2419672
• Log P: 2.243255
• Molar Refractivity: 87.7898 cm^3
• Polarizability: 30.953371 Å^3
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -3.24
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5