N-[3-(2-cyclopropyl-1H-imidazol-1-yl)phenyl]-2-phenylacetamide

• ChemBase ID: 577774
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: n1(c(ncc1)C1CC1)c1cc(NC(=O)Cc2ccccc2)ccc1
• Canonical SMILES: O=C(Cc1ccccc1)Nc1cccc(c1)n1ccnc1C1CC1
• InChI: InChI=1S/C20H19N3O/c24-19(13-15-5-2-1-3-6-15)22-17-7-4-8-18(14-17)23-12-11-21-20(23)16-9-10-16/h1-8,11-12,14,16H,9-10,13H2,(H,22,24)
• InChIKey: BOHHNPUKUKMOAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-cyclopropyl-1H-imidazol-1-yl)phenyl]-2-phenylacetamide
• IUPAC Traditional name: N-[3-(2-cyclopropylimidazol-1-yl)phenyl]-2-phenylacetamide
• Synonyms: N-[3-(2-cyclopropyl-1H-imidazol-1-yl)phenyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.812536
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8500443
• LogD (pH = 7.4): 3.6382413
• Log P: 3.7113214
• Molar Refractivity: 105.4312 cm^3
• Polarizability: 36.627087 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.6
• LOG S: -3.73
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5