N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 700642
• Molecular Formular: C22H22N4O2
• Molecular Mass: 374.43568
• Monoisotopic Mass: 374.17427596
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCc1ccc(N2C(=O)CCC2)cc1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCc1ccc(cc1)N1CCCC1=O
• InChI: InChI=1S/C22H22N4O2/c27-20(16-25-14-12-23-22(25)18-5-2-1-3-6-18)24-15-17-8-10-19(11-9-17)26-13-4-7-21(26)28/h1-3,5-6,8-12,14H,4,7,13,15-16H2,(H,24,27)
• InChIKey: FGMJFKGNPSUKJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[4-(2-oxo-1-pyrrolidinyl)benzyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.160157
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4888037
• LogD (pH = 7.4): 2.032505
• Log P: 2.0511913
• Molar Refractivity: 117.3014 cm^3
• Polarizability: 41.56332 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.43
• LOG S: -3.15
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6