FVY
概要
| 表記: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine |
| 組成式: | C16 H15 Cl F N3 |
| 電荷: | 0 |
| 化学式量: | 303.762 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine |
| OpenEye OEToolkits | 2.0.6 | 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5,6-dimethyl-benzimidazol-2-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1c(c(cc2nc(n(c12)Cc3ccc(c(c3)Cl)F)N)C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H15ClFN3/c1-9-5-14-15(6-10(9)2)21(16(19)20-14)8-11-3-4-13(18)12(17)7-11/h3-7H,8H2,1-2H3,(H2,19,20) |
| InChIKey | InChI | 1.03 | XXDDSHXUGVBBOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C |
| SMILES | CACTVS | 3.385 | Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F |
