1,3-二甲基苯并咪唑-2-酮

• 常用名: 1,3-二甲基苯并咪唑-2-酮
• 英文名: 1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one
• CAS号: 3097-21-0
• 分子量: 162.18800
• 密度: 1.182g/cm3
• 沸点: 240ºC at 760mmHg
• 分子式: C₉H₁₀N₂O
• 熔点: N/A
• 闪点: 97.1ºC

1,3-二甲基苯并咪唑-2-酮名称

• 中文名: 1,3-二甲基苯并咪唑-2-酮
• 英文名: 1,3-dimethylbenzimidazol-2-one

1,3-二甲基苯并咪唑-2-酮物理化学性质

• 密度: 1.182g/cm3
• 沸点: 240ºC at 760mmHg
• 分子式: C₉H₁₀N₂O
• 分子量: 162.18800
• 闪点: 97.1ºC
• 精确质量: 162.07900
• PSA: 26.93000
• LogP: 0.87700
• InChIKey: NOJXCBIUEXCLMZ-UHFFFAOYSA-N
• SMILES: Cn1c(=O)n(C)c2ccccc21
• 折射率: 1.583
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积:23.6

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:185

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

1,3-二甲基苯并咪唑-2-酮安全信息

• 海关编码: 2933990090

1,3-二甲基苯并咪唑-2-酮海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3-二甲基苯并咪唑-2-酮靶点实验

查看更多实验

实验名称：Octanol-water distribution coefficient, log D at pH 7.4 by shake-flask technique 来源：ChEMBL 靶标：N/A External Id：CHEMBL948522

实验名称：Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：HCMV UL50 External Id：HMS1262

实验名称：Hexadecane-water distribution coefficient, log D at pH 7.4 by shake-flask technique 来源：ChEMBL 靶标：N/A External Id：CHEMBL949564

实验名称：Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：ORF 73 [Human herpesvirus 8 type M] External Id：HMS791

实验名称：NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L... 来源：DTP/NCI 靶标：N/A External Id：MCF7_OneDose

实验名称：NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell... 来源：DTP/NCI 靶标：N/A External Id：IGROV1_OneDose

实验名称：High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS1303

实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN

共12条，当前第1页，共2页

1

2

1,3-二甲基苯并咪唑-2-酮英文别名

• 1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
• 1,3-Dimethylbenzimidazolinone
• 1,3-dimethyl-2-benzimidazolin-2-one
• N,N'-Dimethylbenzimidazole
• 1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-one
• 1,3-dimethyl-1,3-dihydrobenzimidazol-2-one
• 1,3-dimethyl-2-oxo-2,3-dihydrobenzimidazole
• 1,3-dimethyl-2,3-dihydrobenzimidazol-2-one
• F0138-3007
• 1,3-dimethyl-2-benzimidazolone