N-(1-phenyl-5-(pyridin-4-ylmethoxy)-1H-benzo[d]imidazol-2-yl)benzamide | 1616475-48-9

• 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: N-(1-phenyl-5-(pyridin-4-ylmethoxy)-1H-benzo[d]imidazol-2-yl)benzamide
• CAS: 1616475-48-9
• 化学式: C₂₆H₂₀N₄O₂
• 分子量: 420.47
• InChiKey: LYZVFQZEDNUSDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  69.04
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(1-phenyl-5-(pyridin-4-ylmethoxy)-1H-benzo[d]imidazol-2-yl)benzamide 在 盐酸 作用下， 以 水 为溶剂， 反应 18.0h， 以68%的产率得到1-phenyl-5-(pyridine-4-ylmethoxy)-1H-benzo[d]imidazol-2-amine
  参考文献：
  名称：

  Aryl-substituted aminobenzimidazoles targeting the hepatitis C virus internal ribosome entry site

  摘要：

  We describe the exploration of N1-aryl-substituted benzimidazoles as ligands for the hepatitis C virus (HCV) internal ribosome entry site (IRES) RNA. The design of the compounds was guided by the co-crystal structure of a benzimidazole viral translation inhibitor in complex with the RNA target. Structure-binding activity relationships of aryl-substituted benzimidazole ligands were established that were consistent with the crystal structure of the translation inhibitor complex. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.009
• 作为产物：
  描述：

  N-(5-(((tert-butyl)dimethylsilyl)oxy)-1-phenyl-1H-benzo[d]imidazol-2-yl)benzamide 在 四丁基氟化铵 、 caesium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 29.0h， 生成 N-(1-phenyl-5-(pyridin-4-ylmethoxy)-1H-benzo[d]imidazol-2-yl)benzamide
  参考文献：
  名称：

  Aryl-substituted aminobenzimidazoles targeting the hepatitis C virus internal ribosome entry site

  摘要：

  We describe the exploration of N1-aryl-substituted benzimidazoles as ligands for the hepatitis C virus (HCV) internal ribosome entry site (IRES) RNA. The design of the compounds was guided by the co-crystal structure of a benzimidazole viral translation inhibitor in complex with the RNA target. Structure-binding activity relationships of aryl-substituted benzimidazole ligands were established that were consistent with the crystal structure of the translation inhibitor complex. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.009