2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1-methylbenzimidazole | 1031872-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1-methylbenzimidazole
• CAS: 1031872-85-1
• 化学式: C₂₄H₂₀N₄O
• 分子量: 380.449
• InChiKey: IVKCDMJDLRUVIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 吡啶 作用下， 生成 2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1-methylbenzimidazole
  参考文献：
  名称：

  Synthesis and tautomerism of 2-(3,5-diaryl-1H-pyrazol-4-yl)-1-methyl-1H-benzimidazoles

  摘要：

  The cyclocondensation of 1-methyl-2-phenacyl-1H-benzimidazole with aroylhydrazines yields 2-(3,5-diaryl-1H-pyrazol-4-yl)-1-methyl-1H-benzimidazoles. The H-1 NMR spectra indicate that these products display tautomerism. The more stable tautomers have structures containing electron-donor aryl substituents at C-5 and electron-withdrawing aryl substituents at C-3 of the pyrazole ring.

  DOI：

  10.1007/s10593-011-0691-6

文献信息

• Synthesis and tautomerism of 2-(3,5-diaryl-1H-pyrazol-4-yl)-1-methyl-1H-benzimidazoles
  作者：I. B. Dzvinchuk、M. O. Lozinskii

  DOI：10.1007/s10593-011-0691-6

  日期：2011.3

  The cyclocondensation of 1-methyl-2-phenacyl-1H-benzimidazole with aroylhydrazines yields 2-(3,5-diaryl-1H-pyrazol-4-yl)-1-methyl-1H-benzimidazoles. The H-1 NMR spectra indicate that these products display tautomerism. The more stable tautomers have structures containing electron-donor aryl substituents at C-5 and electron-withdrawing aryl substituents at C-3 of the pyrazole ring.