2-[2-(2-phenylphenyl)-1H-imidazol-1-yl]acetamide

• ChemBase ID: 360220
• Molecular Formular: C17H15N3O
• Molecular Mass: 277.3205
• Monoisotopic Mass: 277.12151212
• SMILES: c1(n(CC(=O)N)ccn1)c1c(c2ccccc2)cccc1
• Canonical SMILES: NC(=O)Cn1ccnc1c1ccccc1c1ccccc1
• InChI: InChI=1S/C17H15N3O/c18-16(21)12-20-11-10-19-17(20)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,21)
• InChIKey: NKEMPDIYMRTPOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.224874
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9123981
• LogD (pH = 7.4): 2.4064658
• Log P: 2.421488
• Molar Refractivity: 92.0541 cm^3
• Polarizability: 33.31775 Å^3
• Polar Surface Area: 60.91 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: 1.65
• LOG S: -2.63
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 4