4-(5-Cyano-1-propan-2-ylbenzimidazol-2-yl)benzoic acid | 355022-36-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-(5-Cyano-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
• CAS: 355022-36-5
• 化学式: C₁₈H₁₅N₃O₂
• 分子量: 305.336
• InChiKey: PXDSEPFPXGVKEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(5-Cyano-1-propan-2-ylbenzimidazol-2-yl)benzoic acid 在 氯化亚砜 作用下， 以 氯仿 、 苯 为溶剂， 反应 2.5h， 生成 4-(5-cyano-1-propan-2-ylbenzimidazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of Some New 2-Phenyl-N-substituted Carboxamido-1H-benzimidazole Derivatives

  摘要：

  Some 1H-benzimidazole-carboxamide derivatives were prepared and their antimicrobial activities against Staphyloccus aureus, Escherichia coli and Candida albicans evaluated. Compounds 18, 22, and 25 exhibited the best activity against Candida albicans.

  DOI：

  10.1002/1521-4184(200105)334:5<148::aid-ardp148>3.0.co;2-s
• 作为产物：
  描述：

  4-氯-3-硝基苯甲腈 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0~140.0 ℃ 、275.79 kPa 条件下， 反应 5.0h， 生成 4-(5-Cyano-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of Some New 2-Phenyl-N-substituted Carboxamido-1H-benzimidazole Derivatives

  摘要：

  Some 1H-benzimidazole-carboxamide derivatives were prepared and their antimicrobial activities against Staphyloccus aureus, Escherichia coli and Candida albicans evaluated. Compounds 18, 22, and 25 exhibited the best activity against Candida albicans.

  DOI：

  10.1002/1521-4184(200105)334:5<148::aid-ardp148>3.0.co;2-s

文献信息

• Synthesis and Antimicrobial Activity of Some New 2-Phenyl-N-substituted Carboxamido-1H-benzimidazole Derivatives
  作者：Hakan Göker、Meral Tunçbilek、Sibel Süzen、Canan Kus、Nurten Altanlar

  DOI：10.1002/1521-4184(200105)334:5<148::aid-ardp148>3.0.co;2-s

  日期：2001.5

  Some 1H-benzimidazole-carboxamide derivatives were prepared and their antimicrobial activities against Staphyloccus aureus, Escherichia coli and Candida albicans evaluated. Compounds 18, 22, and 25 exhibited the best activity against Candida albicans.