4-[4-(4-cyclohexylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

• ChemBase ID: 748201
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: n1c([nH]cc1c1ccc(cc1)C1CCCCC1)C1CC(=O)NC1
• Canonical SMILES: O=C1NCC(C1)c1[nH]cc(n1)c1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C19H23N3O/c23-18-10-16(11-20-18)19-21-12-17(22-19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,12-13,16H,1-5,10-11H2,(H,20,23)(H,21,22)
• InChIKey: HLSFCLLRPZFPRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-cyclohexylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
• IUPAC Traditional name: 4-[4-(4-cyclohexylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
• Synonyms: 4-[4-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.207819
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.899179
• LogD (pH = 7.4): 3.1439807
• Log P: 3.1482937
• Molar Refractivity: 90.1094 cm^3
• Polarizability: 36.19914 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.9
• LOG S: -4.84
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 3