1-cyclohexyl-4-[(2-phenyl-1H-imidazol-4-yl)methyl]piperazine

• ChemBase ID: 513296
• Molecular Formular: C20H28N4
• Molecular Mass: 324.46312
• Monoisotopic Mass: 324.23139692
• SMILES: n1c([nH]cc1CN1CCN(CC1)C1CCCCC1)c1ccccc1
• Canonical SMILES: C1CCC(CC1)N1CCN(CC1)Cc1nc([nH]c1)c1ccccc1
• InChI: InChI=1S/C20H28N4/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19/h1,3-4,7-8,15,19H,2,5-6,9-14,16H2,(H,21,22)
• InChIKey: XYJRUHLFUOFJKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-[(2-phenyl-1H-imidazol-4-yl)methyl]piperazine
• IUPAC Traditional name: 1-cyclohexyl-4-[(2-phenyl-1H-imidazol-4-yl)methyl]piperazine
• Synonyms: 1-cyclohexyl-4-[(2-phenyl-1H-imidazol-4-yl)methyl]piperazine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.195606
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.070975095
• LogD (pH = 7.4): 1.8064392
• Log P: 3.5488048
• Molar Refractivity: 109.1992 cm^3
• Polarizability: 39.312473 Å^3
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.32
• LOG S: -3.1
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 4