1-{3-[5-(4-fluoro-2-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]propyl}pyrrolidin-2-one

• ChemBase ID: 834630
• Molecular Formular: C23H24FN3O2
• Molecular Mass: 393.4539632
• Monoisotopic Mass: 393.18525524
• SMILES: c1(c(ncn1CCCN1C(=O)CCC1)c1ccccc1)c1c(cc(cc1)F)OC
• Canonical SMILES: COc1cc(F)ccc1c1n(CCCN2CCCC2=O)cnc1c1ccccc1
• InChI: InChI=1S/C23H24FN3O2/c1-29-20-15-18(24)10-11-19(20)23-22(17-7-3-2-4-8-17)25-16-27(23)14-6-13-26-12-5-9-21(26)28/h2-4,7-8,10-11,15-16H,5-6,9,12-14H2,1H3
• InChIKey: DPRNKJMBYMWBMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[5-(4-fluoro-2-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]propyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{3-[5-(4-fluoro-2-methoxyphenyl)-4-phenylimidazol-1-yl]propyl}pyrrolidin-2-one
• Synonyms: 1-{3-[5-(4-fluoro-2-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]propyl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0238655
• LogD (pH = 7.4): 3.193501
• Log P: 3.1962862
• Molar Refractivity: 110.418 cm^3
• Polarizability: 44.583195 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.09
• LOG S: -4.71
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 7