1-[3-(2-cyclohexyl-1H-imidazol-1-yl)phenyl]imidazolidin-2-one

• ChemBase ID: 864407
• Molecular Formular: C18H22N4O
• Molecular Mass: 310.39348
• Monoisotopic Mass: 310.17936134
• SMILES: n1(c(ncc1)C1CCCCC1)c1cc(N2C(=O)NCC2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)n1ccnc1C1CCCCC1
• InChI: InChI=1S/C18H22N4O/c23-18-20-10-12-22(18)16-8-4-7-15(13-16)21-11-9-19-17(21)14-5-2-1-3-6-14/h4,7-9,11,13-14H,1-3,5-6,10,12H2,(H,20,23)
• InChIKey: QRYWFDMIDHDHCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-cyclohexyl-1H-imidazol-1-yl)phenyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[3-(2-cyclohexylimidazol-1-yl)phenyl]imidazolidin-2-one
• Synonyms: 1-[3-(2-cyclohexyl-1H-imidazol-1-yl)phenyl]imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585029
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9319487
• LogD (pH = 7.4): 2.7202237
• Log P: 2.7933593
• Molar Refractivity: 99.2326 cm^3
• Polarizability: 34.782192 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.56
• LOG S: -3.65
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3