2-(4-chlorophenyl)-4-(4-phenyl-1H-imidazole-5-carbonyl)morpholine

• ChemBase ID: 695177
• Molecular Formular: C20H18ClN3O2
• Molecular Mass: 367.82882
• Monoisotopic Mass: 367.10875451
• SMILES: c1(C(=O)N2CC(c3ccc(cc3)Cl)OCC2)c(nc[nH]1)c1ccccc1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)c1[nH]cnc1c1ccccc1
• InChI: InChI=1S/C20H18ClN3O2/c21-16-8-6-14(7-9-16)17-12-24(10-11-26-17)20(25)19-18(22-13-23-19)15-4-2-1-3-5-15/h1-9,13,17H,10-12H2,(H,22,23)
• InChIKey: TXZCXTCVSHTAAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-(4-phenyl-1H-imidazole-5-carbonyl)morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-(5-phenyl-3H-imidazole-4-carbonyl)morpholine
• Synonyms: 2-(4-chlorophenyl)-4-[(4-phenyl-1H-imidazol-5-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.126233
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2525494
• LogD (pH = 7.4): 3.274598
• Log P: 3.2756295
• Molar Refractivity: 100.6884 cm^3
• Polarizability: 39.711834 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.5
• LOG S: -4.87
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 3