N-isopropyl 1-propyl-2-phenyl-1H-benzimidazol-5-carboxamide

• 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-isopropyl 1-propyl-2-phenyl-1H-benzimidazol-5-carboxamide
• 英文别名: 2-phenyl-N-propan-2-yl-1-propylbenzimidazole-5-carboxamide
• 化学式: C₂₀H₂₃N₃O
• 分子量: 321.422
• InChiKey: ATXDYZVXKHBGPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氨基-4-丙基氨基苯甲酸 在 sodium disulfite 、 氯化亚砜 作用下， 以 乙醇 、 水 为溶剂， 反应 7.0h， 生成 N-isopropyl 1-propyl-2-phenyl-1H-benzimidazol-5-carboxamide
  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.