4-(1-{4-[(4-Amino-butylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester | 614753-07-0

• 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-(1-{4-[(4-Amino-butylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[1-[[4-[(4-aminobutylamino)methyl]phenyl]methyl]-5,6-dichlorobenzimidazol-2-yl]piperidine-1-carboxylate；tert-butyl 4-[1-[[4-[(4-aminobutylamino)methyl]phenyl]methyl]-5,6-dichlorobenzimidazol-2-yl]piperidine-1-carboxylate
• CAS: 614753-07-0
• 化学式: C₂₉H₃₉Cl₂N₅O₂
• 分子量: 560.567
• InChiKey: KBJHVACCTOLJKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  85.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(1-{4-[(4-Amino-butylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 生成 N'-[[4-[[5,6-dichloro-2-(4-piperidyl)benzimidazol-1-yl]methyl]phenyl]methyl]butane-1,4-diamine
  参考文献：
  名称：

  2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities

  摘要：

  A series of 2-piperidin-4-yl-benzimidazoles were synthesized and evaluated for antibacterial activities. Certain compounds inhibit bacterial growth with low micromolar minimal inhibitory concentration (MIC). These benzimidazoles arc effective against both Gram-positive and Gram-negative bacteria of clinical importance, particularly entercococci, and represent a new class of potential antibacterial agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00661-9
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-(1-{4-[(4-Amino-butylamino)-methyl]-benzyl}-5,6-dichloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  2-Piperidin-4-yl-benzimidazoles with broad spectrum antibacterial activities

  摘要：

  A series of 2-piperidin-4-yl-benzimidazoles were synthesized and evaluated for antibacterial activities. Certain compounds inhibit bacterial growth with low micromolar minimal inhibitory concentration (MIC). These benzimidazoles arc effective against both Gram-positive and Gram-negative bacteria of clinical importance, particularly entercococci, and represent a new class of potential antibacterial agents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00661-9