dimethyl(2-{5-[1-(3-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-imidazol-1-yl}ethyl)amine

• ChemBase编号: 392676
• 分子式: C23H25N5
• 平均质量: 371.4781
• 单一同位素质量: 371.21099583
• SMILES: c1(c2n(c3cc(ccc3)C)ccn2)c(ncn1CCN(C)C)c1ccccc1
• Canonical SMILES: CN(CCn1cnc(c1c1nccn1c1cccc(c1)C)c1ccccc1)C
• InChI: InChI=1S/C23H25N5/c1-18-8-7-11-20(16-18)28-13-12-24-23(28)22-21(19-9-5-4-6-10-19)25-17-27(22)15-14-26(2)3/h4-13,16-17H,14-15H2,1-3H3
• InChIKey: NFJWCDFEBGRBFZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl(2-{5-[1-(3-methylphenyl)-1H-imidazol-2-yl]-4-phenyl-1H-imidazol-1-yl}ethyl)amine
• IUPAC传统名: dimethyl(2-{5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl}ethyl)amine
• 别名: N,N-dimethyl-2-[1-(3-methylphenyl)-5'-phenyl-1H,3'H-2,4'-biimidazol-3'-yl]ethanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.9449205
• LogD (pH = 7.4): 2.660643
• Log P: 4.351529
• 摩尔折射率: 134.6615 cm^3
• 极化性: 46.17789 Å^3
• 极化表面积: 38.88 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 5.95
• LOG S: -5.98
• 极化表面积: 38.88 Å^2
• 可自由旋转的化学键: 6