1-benzyl-2-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-1H-benzoimidazole | 1242165-91-8

• 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-benzyl-2-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-1H-benzoimidazole
• 英文别名: 1-Benzyl-2-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-1H-benzo[d]imidazole；1-benzyl-2-[2-(1-methylpyrrol-2-yl)ethyl]benzimidazole
• CAS: 1242165-91-8
• 化学式: C₂₁H₂₁N₃
• 分子量: 315.418
• InChiKey: WVZMKPWRPYRODD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  22.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 反应 5.0h， 以143 mg的产率得到1-benzyl-2-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-1H-benzoimidazole
  参考文献：
  名称：

  Design and synthesis of novel benzimidazole derivatives as inhibitors of hepatitis B virus

  摘要：

  A series of novel benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compound 12a, with IC50 < 0.41 mu M and SI > 81.2, was the most promising compound and selected as the benchmark compound for further optimization. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.076

文献信息

• Design and synthesis of novel benzimidazole derivatives as inhibitors of hepatitis B virus
  作者：Yu Luo、Jia-Ping Yao、Li Yang、Chun-Lan Feng、Wei Tang、Gui-Feng Wang、Jian-Pin Zuo、Wei Lu

  DOI：10.1016/j.bmc.2010.05.076

  日期：2010.7

  A series of novel benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compound 12a, with IC50 < 0.41 mu M and SI > 81.2, was the most promising compound and selected as the benchmark compound for further optimization. (C) 2010 Elsevier Ltd. All rights reserved.