N-{2-[5-(6-chloro-2-fluoro-3-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide

• ChemBase ID: 541921
• Molecular Formular: C20H19ClFN3O
• Molecular Mass: 371.8357632
• Monoisotopic Mass: 371.12006814
• SMILES: c1(c2c(c(ccc2Cl)C)F)c(ncn1CCNC(=O)C)c1ccccc1
• Canonical SMILES: CC(=O)NCCn1cnc(c1c1c(Cl)ccc(c1F)C)c1ccccc1
• InChI: InChI=1S/C20H19ClFN3O/c1-13-8-9-16(21)17(18(13)22)20-19(15-6-4-3-5-7-15)24-12-25(20)11-10-23-14(2)26/h3-9,12H,10-11H2,1-2H3,(H,23,26)
• InChIKey: KGIMWSILKKJASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[5-(6-chloro-2-fluoro-3-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[5-(6-chloro-2-fluoro-3-methylphenyl)-4-phenylimidazol-1-yl]ethyl}acetamide
• Synonyms: N-{2-[5-(6-chloro-2-fluoro-3-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.732417
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8623059
• LogD (pH = 7.4): 3.959361
• Log P: 3.960785
• Molar Refractivity: 101.1434 cm^3
• Polarizability: 40.904297 Å^3
• Polar Surface Area: 46.92 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: 3.8
• LOG S: -5.16
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5