{1-[(4-bromophenyl)methyl]-2-butyl-4-chloro-1H-imidazol-5-yl}methanol

• ChemBase编号: 163233
• 分子式: C15H18BrClN2O
• 平均质量: 357.67322
• 单一同位素质量: 356.02910289
• SMILES: n1c(n(c(c1Cl)CO)Cc1ccc(cc1)Br)CCCC
• Canonical SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)Br)CO)Cl
• InChI: InChI=1S/C15H18BrClN2O/c1-2-3-4-14-18-15(17)13(10-20)19(14)9-11-5-7-12(16)8-6-11/h5-8,20H,2-4,9-10H2,1H3
• InChIKey: LOSZLEJFCKVKOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {1-[(4-bromophenyl)methyl]-2-butyl-4-chloro-1H-imidazol-5-yl}methanol
• IUPAC传统名: {3-[(4-bromophenyl)methyl]-2-butyl-5-chloroimidazol-4-yl}methanol
• 别名: 1-[(4-Bromophenyl)methyl]-2-butyl-4-chloro-1H-imidazole-5-methanol; 2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole; 1-(4-bromobenzyl)-2-butyl-4-chloro-1h-imidazole-5-methanol

登记号

• CAS号: 151012-31-6
• PubChem SID: 162257368
• PubChem CID: 10473552

理论计算性质

• Acid pKa: 14.273295
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.243946
• LogD (pH = 7.4): 4.261066
• Log P: 4.2612886
• 摩尔折射率: 86.974 cm^3
• 极化性: 32.982662 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: White to Off-White Solid
• 熔点: 90-92°C

安全信息

• 保存条件: Refrigerator

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - B690465

Intermediate in the preparation of Losartan derivatives.