4-{2-[2-(2,5-dichlorophenyl)-1H-imidazol-1-yl]propyl}morpholine

• ChemBase ID: 489334
• Molecular Formular: C16H19Cl2N3O
• Molecular Mass: 340.24756
• Monoisotopic Mass: 339.0905176
• SMILES: c1(n(C(CN2CCOCC2)C)ccn1)c1c(ccc(c1)Cl)Cl
• Canonical SMILES: CC(n1ccnc1c1cc(Cl)ccc1Cl)CN1CCOCC1
• InChI: InChI=1S/C16H19Cl2N3O/c1-12(11-20-6-8-22-9-7-20)21-5-4-19-16(21)14-10-13(17)2-3-15(14)18/h2-5,10,12H,6-9,11H2,1H3
• InChIKey: ISUPVTIMFHSLOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[2-(2,5-dichlorophenyl)-1H-imidazol-1-yl]propyl}morpholine
• IUPAC Traditional name: 4-{2-[2-(2,5-dichlorophenyl)imidazol-1-yl]propyl}morpholine
• Synonyms: 4-{2-[2-(2,5-dichlorophenyl)-1H-imidazol-1-yl]propyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4719446
• LogD (pH = 7.4): 3.2591422
• Log P: 3.5280306
• Molar Refractivity: 100.1331 cm^3
• Polarizability: 35.460438 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.5
• LOG S: -2.81
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4