A1H0V
Summary
| Name: | 1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine |
| Formula: | C8 H7 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 244.081 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H7Cl2N5/c9-3-1-5-6(2-4(3)10)14-8(13-5)15-7(11)12/h1-2H,(H5,11,12,13,14,15) |
| InChIKey | InChI | 1.06 | XEBPUCFKEPJQFT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)Nc1[nH]c2cc(Cl)c(Cl)cc2n1 |
| SMILES | CACTVS | 3.385 | NC(=N)Nc1[nH]c2cc(Cl)c(Cl)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\Nc1[nH]c2cc(c(cc2n1)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(cc(c1Cl)Cl)nc([nH]2)NC(=N)N |
