2-(2,4-Dichloro-phenyl)-1-(4-fluoro-benzyl)-1H-benzoimidazole-5-carboxylic acid | 214903-68-1

• 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: 2-(2,4-Dichloro-phenyl)-1-(4-fluoro-benzyl)-1H-benzoimidazole-5-carboxylic acid
• CAS: 214903-68-1
• 化学式: C₂₁H₁₃Cl₂FN₂O₂
• 分子量: 415.251
• InChiKey: DBLZQJSNWJTFIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  55.12
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(2,4-Dichloro-phenyl)-1-(4-fluoro-benzyl)-1H-benzoimidazole-5-carboxylic acid 在 氯化亚砜 作用下， 以 氯仿 、 苯 为溶剂， 反应 2.5h， 生成 [2-(2,4-Dichloro-phenyl)-1-(4-fluoro-benzyl)-1H-benzoimidazol-5-yl]-(4-methyl-piperazin-1-yl)-methanone
  参考文献：
  名称：

  Synthesis of some new benzimidazolecarboxamides and evaluation of their antimicrobial activity

  摘要：

  A series of 1,2-disubstituted benzimidazole-5(6)-carboxamides was prepared and evaluated in vitro for antimicrobial activity against Staphyloccus aureus, Escherichia coli and Candida albicans. The precursor benzimidazolecarboxylic acids 4a-c and 9a-c were prepared via oxidative condensation of diaminobenzoic acids with aldehydes and via several steps over the 2(1H)-benzimidazolones, respectively. All acids were converted to their acyl chlorides with SOCI2, then amidified with several N,N'-dialkylaminoethyl derivatives. Compounds 8a-c, 20 and 22 exhibited the best activity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00045-7
• 作为产物：
  描述：

  3-Amino-4-(4-fluoro-benzylamino)-benzoic acid methyl ester 在 sodium hydroxide 、 水 、 copper diacetate 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 1.0h， 生成 2-(2,4-Dichloro-phenyl)-1-(4-fluoro-benzyl)-1H-benzoimidazole-5-carboxylic acid
  参考文献：
  名称：

  Synthesis of some new benzimidazolecarboxamides and evaluation of their antimicrobial activity

  摘要：

  A series of 1,2-disubstituted benzimidazole-5(6)-carboxamides was prepared and evaluated in vitro for antimicrobial activity against Staphyloccus aureus, Escherichia coli and Candida albicans. The precursor benzimidazolecarboxylic acids 4a-c and 9a-c were prepared via oxidative condensation of diaminobenzoic acids with aldehydes and via several steps over the 2(1H)-benzimidazolones, respectively. All acids were converted to their acyl chlorides with SOCI2, then amidified with several N,N'-dialkylaminoethyl derivatives. Compounds 8a-c, 20 and 22 exhibited the best activity. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00045-7