1-[2-(2-phenylphenyl)-1H-imidazol-1-yl]propan-2-ol

• ChemBase ID: 409879
• Molecular Formular: C18H18N2O
• Molecular Mass: 278.34832
• Monoisotopic Mass: 278.14191321
• SMILES: c1(n(ccn1)CC(O)C)c1c(c2ccccc2)cccc1
• Canonical SMILES: CC(Cn1ccnc1c1ccccc1c1ccccc1)O
• InChI: InChI=1S/C18H18N2O/c1-14(21)13-20-12-11-19-18(20)17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-12,14,21H,13H2,1H3
• InChIKey: SGDMRURVUPSJDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2-phenylphenyl)-1H-imidazol-1-yl]propan-2-ol
• IUPAC Traditional name: 1-[2-(2-phenylphenyl)imidazol-1-yl]propan-2-ol
• Synonyms: 1-(2-biphenyl-2-yl-1H-imidazol-1-yl)propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.179242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9415367
• LogD (pH = 7.4): 3.460188
• Log P: 3.4769204
• Molar Refractivity: 94.8584 cm^3
• Polarizability: 34.532085 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.8
• LOG S: -3.62
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4