1-[2-({2-[5-(2-chlorophenyl)furan-2-yl]-1H-imidazol-1-yl}methyl)morpholin-4-yl]ethan-1-one

• ChemBase ID: 848156
• Molecular Formular: C20H20ClN3O3
• Molecular Mass: 385.8441
• Monoisotopic Mass: 385.1193192
• SMILES: c1(n(CC2CN(C(=O)C)CCO2)ccn1)c1oc(c2c(Cl)cccc2)cc1
• Canonical SMILES: CC(=O)N1CCOC(C1)Cn1ccnc1c1ccc(o1)c1ccccc1Cl
• InChI: InChI=1S/C20H20ClN3O3/c1-14(25)23-10-11-26-15(12-23)13-24-9-8-22-20(24)19-7-6-18(27-19)16-4-2-3-5-17(16)21/h2-9,15H,10-13H2,1H3
• InChIKey: JFGRLBIDOLAFGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-({2-[5-(2-chlorophenyl)furan-2-yl]-1H-imidazol-1-yl}methyl)morpholin-4-yl]ethan-1-one
• IUPAC Traditional name: 1-[2-({2-[5-(2-chlorophenyl)furan-2-yl]imidazol-1-yl}methyl)morpholin-4-yl]ethanone
• Synonyms: 4-acetyl-2-({2-[5-(2-chlorophenyl)-2-furyl]-1H-imidazol-1-yl}methyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3334174
• LogD (pH = 7.4): 2.4202914
• Log P: 2.4215455
• Molar Refractivity: 112.2555 cm^3
• Polarizability: 41.176826 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.33
• LOG S: -4.0
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 4