1-Butyl-5-chloro-2-phenylbenzimidazole

• 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-Butyl-5-chloro-2-phenylbenzimidazole
• 化学式: C₁₇H₁₇ClN₂
• 分子量: 284.788
• InChiKey: XEPOXRWTQKJJFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  苯甲醛 、 2-amino-N-butyl-4-chloroaniline 在 sodium disulfite 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以49%的产率得到1-Butyl-5-chloro-2-phenylbenzimidazole
  参考文献：
  名称：

  Synthesis of some new 2-substituted-phenyl-1H-benzimidazole-5-carbonitriles and their potent activity against candida species

  摘要：

  New 2-substituted-phenyl-1H-benzimidazole-5-carboxylic acids (35, 38), ethyl-5-carboxylate (36), -5-carboxamides (37, 39),-5-carboxaldeliyde (42), -5-chloro (40), -5-trifluoromethyl (41), and -5-carbonitriles (44-53, 55-67), -6-carbonitrilc (54) were prepared and evaluated in vitro against Candida species. The cyano substituted compounds 53, 57, 58 and 61 exhibited the greatest activity with MIC values of 3.12 mug/mL, values similar to that of fluconazole. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00103-7

文献信息

• Synthesis of some new 2-substituted-phenyl-1H-benzimidazole-5-carbonitriles and their potent activity against candida species
  作者：Hakan Göker、Canan Kuş、David W. Boykin、Sulhiye Yildiz、Nurten Altanlar

  DOI：10.1016/s0968-0896(02)00103-7

  日期：2002.8

  New 2-substituted-phenyl-1H-benzimidazole-5-carboxylic acids (35, 38), ethyl-5-carboxylate (36), -5-carboxamides (37, 39),-5-carboxaldeliyde (42), -5-chloro (40), -5-trifluoromethyl (41), and -5-carbonitriles (44-53, 55-67), -6-carbonitrilc (54) were prepared and evaluated in vitro against Candida species. The cyano substituted compounds 53, 57, 58 and 61 exhibited the greatest activity with MIC values of 3.12 mug/mL, values similar to that of fluconazole. (C) 2002 Elsevier Science Ltd. All rights reserved.