3-{5-[2-(5-methylfuran-2-yl)propyl]-4-phenyl-1H-imidazol-1-yl}propan-1-ol

• ChemBase ID: 399796
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: c1(c(ncn1CCCO)c1ccccc1)CC(c1oc(cc1)C)C
• Canonical SMILES: OCCCn1cnc(c1CC(c1ccc(o1)C)C)c1ccccc1
• InChI: InChI=1S/C20H24N2O2/c1-15(19-10-9-16(2)24-19)13-18-20(17-7-4-3-5-8-17)21-14-22(18)11-6-12-23/h3-5,7-10,14-15,23H,6,11-13H2,1-2H3
• InChIKey: LWRCYEKAAYHMKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{5-[2-(5-methylfuran-2-yl)propyl]-4-phenyl-1H-imidazol-1-yl}propan-1-ol
• IUPAC Traditional name: 3-{5-[2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl}propan-1-ol
• Synonyms: 3-{5-[2-(5-methyl-2-furyl)propyl]-4-phenyl-1H-imidazol-1-yl}propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.923094
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6699607
• LogD (pH = 7.4): 3.230251
• Log P: 3.250715
• Molar Refractivity: 96.3673 cm^3
• Polarizability: 37.765713 Å^3
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.56
• LOG S: -4.6
• Polar Surface Area: 51.19 Å^2
• Rotatable Bonds: 7