(5-{1-[2-(2-chlorophenyl)ethyl]-1H-imidazol-2-yl}furan-2-yl)methanol

• ChemBase ID: 567125
• Molecular Formular: C16H15ClN2O2
• Molecular Mass: 302.7555
• Monoisotopic Mass: 302.08220541
• SMILES: c1(c2oc(cc2)CO)n(ccn1)CCc1c(Cl)cccc1
• Canonical SMILES: OCc1ccc(o1)c1nccn1CCc1ccccc1Cl
• InChI: InChI=1S/C16H15ClN2O2/c17-14-4-2-1-3-12(14)7-9-19-10-8-18-16(19)15-6-5-13(11-20)21-15/h1-6,8,10,20H,7,9,11H2
• InChIKey: SGOPMASIHZLQQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.705867
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8457625
• LogD (pH = 7.4): 2.9320545
• Log P: 2.933299
• Molar Refractivity: 92.2678 cm^3
• Polarizability: 31.728247 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: 1.9
• LOG S: -3.03
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 5