3-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]propan-1-ol

• ChemBase ID: 373405
• Molecular Formular: C20H22N2O
• Molecular Mass: 306.40148
• Monoisotopic Mass: 306.17321333
• SMILES: n1c(c(n(c1)CCCO)CCc1ccccc1)c1ccccc1
• Canonical SMILES: OCCCn1cnc(c1CCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H22N2O/c23-15-7-14-22-16-21-20(18-10-5-2-6-11-18)19(22)13-12-17-8-3-1-4-9-17/h1-6,8-11,16,23H,7,12-15H2
• InChIKey: DVOKCHASXSXRKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]propan-1-ol
• IUPAC Traditional name: 3-[4-phenyl-5-(2-phenylethyl)imidazol-1-yl]propan-1-ol
• Synonyms: 3-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]propan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.923094
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1675293
• LogD (pH = 7.4): 3.758294
• Log P: 3.7818415
• Molar Refractivity: 94.2011 cm^3
• Polarizability: 37.357586 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.48
• LOG S: -4.41
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 7