1-(1H-Benzo[D]Imidazol-2-Yl)Ethanone 1-(1H-苯并[d]咪唑-2-基)乙酮

CAS 939-70-8 MFCD00159994

化学结构图

939-70-8
SMILES: CC(=O)c1nc2ccccc2[nH]1

化学属性

Mol. FormulaC9H8N2O
Mol. Weight160.18
Melting Point180-181 °C
Boiling Point347.4±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-(1H-Benzo[D]Imidazol-2-Yl)Ethanone
CAS Number939-70-8
Alfabeta NameBENZIMIDAZOLYLETHANONE H111321()-------,
MDL NumberMFCD00159994
Synonym 2-Acetylbenzimidazole {LY} 2-Acetylbenzimidazole {} {LY} 2-Acetylbenzimidazole {} {} {LY} 2-Acetylbenzimidazole {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Acetylbenzimidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation1-(1H-苯并[d]咪唑-2-基)乙酮
InChIKeyUYFMRVDIXXOWLR-UHFFFAOYSA-N
PubChem Substance ID70322
LabNetwork Molecule IDLN00130643
InChIInChI=1S/C9H8N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-5H,1H3,(H,10,11)
Canonical SMILESO=C(C1=NC2=CC=CC=C2N1)C
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Ketones
  • {SNA} Benzimidazoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks

安全信息

Warnings IRRITANT
Hazard Codes Xi
WGK Germany3
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
1
LogP
7.378000000000000e-001

其他信息

  • 下游产品:(2-二溴乙酰基)-苯并咪唑氢溴酸盐
  • MOL 文件:939-70-8.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzimidazoles 苯并咪唑

相关产品推荐