4-[2-(2,3-dichloro-4-methylphenyl)-1H-imidazol-1-yl]piperidine

• ChemBase ID: 667723
• Molecular Formular: C15H17Cl2N3
• Molecular Mass: 310.22158
• Monoisotopic Mass: 309.07995292
• SMILES: c1(c2c(c(c(cc2)C)Cl)Cl)n(ccn1)C1CCNCC1
• Canonical SMILES: Cc1ccc(c(c1Cl)Cl)c1nccn1C1CCNCC1
• InChI: InChI=1S/C15H17Cl2N3/c1-10-2-3-12(14(17)13(10)16)15-19-8-9-20(15)11-4-6-18-7-5-11/h2-3,8-9,11,18H,4-7H2,1H3
• InChIKey: GLFSXEFJYZFMNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,3-dichloro-4-methylphenyl)-1H-imidazol-1-yl]piperidine
• IUPAC Traditional name: 4-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]piperidine
• Synonyms: 4-[2-(2,3-dichloro-4-methylphenyl)-1H-imidazol-1-yl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22040983
• LogD (pH = 7.4): 0.8436619
• Log P: 3.468491
• Molar Refractivity: 93.8183 cm^3
• Polarizability: 32.87083 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.01
• LOG S: -3.02
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2