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

• ChemBase ID: 339372
• Molecular Formular: C17H24N4
• Molecular Mass: 284.39926
• Monoisotopic Mass: 284.20009679
• SMILES: n1c([nH]cc1CN1CCN(CC1)CCC)c1ccccc1
• Canonical SMILES: CCCN1CCN(CC1)Cc1nc([nH]c1)c1ccccc1
• InChI: InChI=1S/C17H24N4/c1-2-8-20-9-11-21(12-10-20)14-16-13-18-17(19-16)15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3,(H,18,19)
• InChIKey: UIBLXXBDIRJLNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.195318
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.47793788
• LogD (pH = 7.4): 1.4700191
• Log P: 2.6288645
• Molar Refractivity: 97.4576 cm^3
• Polarizability: 34.513416 Å^3
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.44
• LOG S: -2.01
• Polar Surface Area: 35.16 Å^2
• Rotatable Bonds: 3