1-amino-3-[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile | 1427518-75-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-amino-3-[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
• CAS: 1427518-75-9
• 化学式: C₂₉H₁₈ClN₇O
• 分子量: 515.961
• InChiKey: PSHCKYUNOJQTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.42
• 重原子数：
  38.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  117.95
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  依达拉奉 在 哌啶 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成 1-amino-3-[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
  参考文献：
  名称：

  One step synthesis of pyrido[1,2-a]benzimidazole derivatives of aryloxypyrazole and their antimicrobial evaluation

  摘要：

  A new series of pyrido[1,2-a]benzimidazole derivatives bearing the aryloxypyrazole nucleus have been synthesized by base-catalyzed cyclocondensation reaction through multi-component reaction (MCR) approach. All the synthesized compounds were investigated against a representative panel of pathogenic strains using broth microdilution minimum inhibitory concentration (MIC) method for their in vitro antimicrobial activity. Reviewing the data, majority of the compounds were found to be active against employed pathogens. SAR study explores that antimicrobial activity is strongly depends on the nature of the substituents at the ether linked aryl ring attached to the pyrazole unit, together with the substituent present on the C-5 of the benzimidazole unit. (C) 2013 Manish P. Patel. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.01.021