5(6)-fluoro-2-(3,4-dichloroanilino)-1H-benzimidazole hydrochloride

• 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: 5(6)-fluoro-2-(3,4-dichloroanilino)-1H-benzimidazole hydrochloride
• 英文别名: N-(3,4-dichlorophenyl)-6-fluoro-1H-benzimidazol-2-amine;hydrochloride
• 化学式: C₁₃H₈Cl₂FN₃*ClH
• 分子量: 332.592
• InChiKey: YAPZCLIMNPGOFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氟-1,2-苯二胺 、 3,4-二氯异硫氰酸苯酯 在 Celite 、 N,N-二异丙基乙胺 、 copper(l) chloride 、 盐酸 作用下， 以 甲苯 、 乙腈 、 乙醇 为溶剂， 反应 1.0h， 以27%的产率得到5(6)-fluoro-2-(3,4-dichloroanilino)-1H-benzimidazole hydrochloride
  参考文献：
  名称：

  Synthesis, potent anti-staphylococcal activity and QSARs of some novel 2-anilinobenzazoles

  摘要：

  Synthesis and anti-staphylococcal activity of a number of substituted 2-anilinobenzimidazoles, benzothiazoles and benzoxazoles are reported. The anti-staphylococcal activities were evaluated in standard in vitro MIC assay method. While anilinobenzimidazole derivatives 11-45 showed very potent anti-staphylococcal activities (greatest activity with an MIC value of 0.095 mu g/mL), none of the 2-anilinobenzothiazoles and benzoxazole derivatives exhibited inhibitory activity. QSAR analysis of the anilinobenzimidazoles was studied on the relationship between the anti-staphylococcal activity (MIC in mu g/ml) and extrapolated log k(w) values. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.10.009

文献信息

• Synthesis, potent anti-staphylococcal activity and QSARs of some novel 2-anilinobenzazoles
  作者：Seçkin Özden、Dilek Atabey、Sulhiye Yıldız、Hakan Göker

  DOI：10.1016/j.ejmech.2007.10.009

  日期：2008.7

  Synthesis and anti-staphylococcal activity of a number of substituted 2-anilinobenzimidazoles, benzothiazoles and benzoxazoles are reported. The anti-staphylococcal activities were evaluated in standard in vitro MIC assay method. While anilinobenzimidazole derivatives 11-45 showed very potent anti-staphylococcal activities (greatest activity with an MIC value of 0.095 mu g/mL), none of the 2-anilinobenzothiazoles and benzoxazole derivatives exhibited inhibitory activity. QSAR analysis of the anilinobenzimidazoles was studied on the relationship between the anti-staphylococcal activity (MIC in mu g/ml) and extrapolated log k(w) values. (c) 2007 Elsevier Masson SAS. All rights reserved.