1-{2-[5-(2-fluoro-4-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyrrolidin-2-one

• ChemBase ID: 489317
• Molecular Formular: C22H22FN3O
• Molecular Mass: 363.4279832
• Monoisotopic Mass: 363.17469056
• SMILES: c1(c(ncn1CCN1C(=O)CCC1)c1ccccc1)c1c(cc(cc1)C)F
• Canonical SMILES: Cc1ccc(c(c1)F)c1n(CCN2CCCC2=O)cnc1c1ccccc1
• InChI: InChI=1S/C22H22FN3O/c1-16-9-10-18(19(23)14-16)22-21(17-6-3-2-4-7-17)24-15-26(22)13-12-25-11-5-8-20(25)27/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3
• InChIKey: ARUBBCXQRWVNJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[5-(2-fluoro-4-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{2-[5-(2-fluoro-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl}pyrrolidin-2-one
• Synonyms: 1-{2-[5-(2-fluoro-4-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.660882
• LogD (pH = 7.4): 3.8051438
• Log P: 3.8074193
• Molar Refractivity: 104.1306 cm^3
• Polarizability: 42.009136 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.73
• LOG S: -5.04
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5