N-{4-[2-(2-chlorophenyl)-1H-imidazol-1-yl]phenyl}acetamide

• ChemBase ID: 561578
• Molecular Formular: C17H14ClN3O
• Molecular Mass: 311.76556
• Monoisotopic Mass: 311.08253976
• SMILES: c1(n(c2ccc(NC(=O)C)cc2)ccn1)c1c(Cl)cccc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)n1ccnc1c1ccccc1Cl
• InChI: InChI=1S/C17H14ClN3O/c1-12(22)20-13-6-8-14(9-7-13)21-11-10-19-17(21)15-4-2-3-5-16(15)18/h2-11H,1H3,(H,20,22)
• InChIKey: ISDKPYDVHJGEIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(2-chlorophenyl)-1H-imidazol-1-yl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[2-(2-chlorophenyl)imidazol-1-yl]phenyl}acetamide
• Synonyms: N-{4-[2-(2-chlorophenyl)-1H-imidazol-1-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.841405
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2918234
• LogD (pH = 7.4): 3.596655
• Log P: 3.6029356
• Molar Refractivity: 108.7758 cm^3
• Polarizability: 34.43979 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.46
• LOG S: -4.43
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3