1-[3-(5-Chloro-1H-benzoimidazol-2-yl)-4-hydroxy-phenyl]-octan-1-one | 104620-04-4

• 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: 1-[3-(5-Chloro-1H-benzoimidazol-2-yl)-4-hydroxy-phenyl]-octan-1-one
• 英文别名: 1-[3-(6-chloro-1H-benzimidazol-2-yl)-4-hydroxyphenyl]octan-1-one
• CAS: 104620-04-4
• 化学式: C₂₁H₂₃ClN₂O₂
• 分子量: 370.879
• InChiKey: CGJNGDJDLLKYSE-UHFFFAOYSA-N

物化性质

• 熔点：
  203-205 °C
• 沸点：
  600.2±65.0 °C(Predicted)
• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  水杨酰胺 在 四氢吡咯 、 PPA 、 三氯氧磷 、 三氯化磷 作用下， 以 乙腈 、 苯 为溶剂， 反应 29.0h， 生成 1-[3-(5-Chloro-1H-benzoimidazol-2-yl)-4-hydroxy-phenyl]-octan-1-one
  参考文献：
  名称：

  Substituted 2-(2-hydroxyphenyl)benzimidazoles as potential agents for the control of periodontal diseases

  摘要：

  A series of 16 substituted 2-(2-hydroxphenyl)benzimidazoles was synthesized and evaluated in vitro for antibacterial activity against bacteria associated with periodontal diseases. Several compounds demonstrated a high level of activity, in tube dilution assay, against Actinomycetes viscosus and Bacteriodes gingivalis. These results indicate that several of these compounds may serve as topical antibacterial agents for the control of acute marginal inflammatory gingivitis and periodontitis.

  DOI：

  10.1021/jm00384a035

文献信息

• COBURN R. A.; CLARK M. T.; EVANS R. T.; GENCO R. J., J. MED. CHEM., 30,(1987) N 1, 205-208
  作者：COBURN R. A.、 CLARK M. T.、 EVANS R. T.、 GENCO R. J.

  DOI：——

  日期：——
• Substituted 2-(2-hydroxyphenyl)benzimidazoles as potential agents for the control of periodontal diseases
  作者：Robert A. Coburn、Michael T. Clark、Richard T. Evans、Robert J. Genco

  DOI：10.1021/jm00384a035

  日期：1987.1

  A series of 16 substituted 2-(2-hydroxphenyl)benzimidazoles was synthesized and evaluated in vitro for antibacterial activity against bacteria associated with periodontal diseases. Several compounds demonstrated a high level of activity, in tube dilution assay, against Actinomycetes viscosus and Bacteriodes gingivalis. These results indicate that several of these compounds may serve as topical antibacterial agents for the control of acute marginal inflammatory gingivitis and periodontitis.