71N
概要
| 表記: | 2-(trifluoromethyl)-1H-benzimidazol-5-amine |
| 組成式: | C8 H6 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 201.149 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 | 2-(trifluoromethyl)-1H-benzimidazol-5-amine |
| OpenEye OEToolkits | 2.0.5 | 2-(trifluoromethyl)-1~{H}-benzimidazol-5-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 | FC(F)(F)c2nc1c(cc(cc1)N)n2 |
| InChI | InChI | 1.03 | InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14) |
| InChIKey | InChI | 1.03 | CKEKFQLHCAZGSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2[nH]c(nc2c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1ccc2[nH]c(nc2c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1N)nc([nH]2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc1N)nc([nH]2)C(F)(F)F |
