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

• ChemBase ID: 317824
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: c1(c(ncn1CCN1C(=O)CCC1)c1ccccc1)c1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1c1n(CCN2CCCC2=O)cnc1c1ccccc1
• InChI: InChI=1S/C23H25N3O/c1-2-18-9-6-7-12-20(18)23-22(19-10-4-3-5-11-19)24-17-26(23)16-15-25-14-8-13-21(25)27/h3-7,9-12,17H,2,8,13-16H2,1H3
• InChIKey: SYFNAXFKGKLETI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.866438
• LogD (pH = 7.4): 4.1048975
• Log P: 4.109286
• Molar Refractivity: 108.5152 cm^3
• Polarizability: 44.287457 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.81
• LOG S: -5.08
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6