N-{2-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide

• ChemBase ID: 410387
• Molecular Formular: C19H18ClN3O
• Molecular Mass: 339.81872
• Monoisotopic Mass: 339.11383989
• SMILES: n1c(c(n(c1)CCNC(=O)C)c1ccc(cc1)Cl)c1ccccc1
• Canonical SMILES: CC(=O)NCCn1cnc(c1c1ccc(cc1)Cl)c1ccccc1
• InChI: InChI=1S/C19H18ClN3O/c1-14(24)21-11-12-23-13-22-18(15-5-3-2-4-6-15)19(23)16-7-9-17(20)10-8-16/h2-10,13H,11-12H2,1H3,(H,21,24)
• InChIKey: GINYTUNLEOPORE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[5-(4-chlorophenyl)-4-phenylimidazol-1-yl]ethyl}acetamide
• Synonyms: N-{2-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.4
• LOG S: -4.59
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 1
• LogD (pH = 5.5): 3.0604742
• LogD (pH = 7.4): 3.300239
• Log P: 3.3046615
• Molar Refractivity: 95.8858 cm^3
• Polarizability: 39.5126 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.27724
• H Acceptors: 2