{3-[2-(1-phenylethyl)-1H-imidazol-1-yl]phenyl}methanol

• ChemBase ID: 315126
• Molecular Formular: C18H18N2O
• Molecular Mass: 278.34832
• Monoisotopic Mass: 278.14191321
• SMILES: c1(n(c2cc(CO)ccc2)ccn1)C(c1ccccc1)C
• Canonical SMILES: OCc1cccc(c1)n1ccnc1C(c1ccccc1)C
• InChI: InChI=1S/C18H18N2O/c1-14(16-7-3-2-4-8-16)18-19-10-11-20(18)17-9-5-6-15(12-17)13-21/h2-12,14,21H,13H2,1H3
• InChIKey: NJGFZXPQILOUAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[2-(1-phenylethyl)-1H-imidazol-1-yl]phenyl}methanol
• IUPAC Traditional name: {3-[2-(1-phenylethyl)imidazol-1-yl]phenyl}methanol
• Synonyms: {3-[2-(1-phenylethyl)-1H-imidazol-1-yl]phenyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.053101
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7189622
• LogD (pH = 7.4): 3.427806
• Log P: 3.4694514
• Molar Refractivity: 94.5594 cm^3
• Polarizability: 33.112366 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: 3.17
• LOG S: -3.94
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4