4-{4-[2-(3-chlorophenyl)-1H-imidazol-1-yl]benzoyl}morpholine

• ChemBase ID: 861250
• Molecular Formular: C20H18ClN3O2
• Molecular Mass: 367.82882
• Monoisotopic Mass: 367.10875451
• SMILES: c1(n(c2ccc(C(=O)N3CCOCC3)cc2)ccn1)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)c1nccn1c1ccc(cc1)C(=O)N1CCOCC1
• InChI: InChI=1S/C20H18ClN3O2/c21-17-3-1-2-16(14-17)19-22-8-9-24(19)18-6-4-15(5-7-18)20(25)23-10-12-26-13-11-23/h1-9,14H,10-13H2
• InChIKey: WLSBACCZTRYHCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[2-(3-chlorophenyl)-1H-imidazol-1-yl]benzoyl}morpholine
• IUPAC Traditional name: 4-{4-[2-(3-chlorophenyl)imidazol-1-yl]benzoyl}morpholine
• Synonyms: 4-{4-[2-(3-chlorophenyl)-1H-imidazol-1-yl]benzoyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0380256
• LogD (pH = 7.4): 3.4349568
• Log P: 3.4447172
• Molar Refractivity: 121.8591 cm^3
• Polarizability: 39.701897 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.35
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3