6H8
Summary
| Name: | N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine |
| Formula: | C9 H12 N6 |
| Formal charge: | 0 |
| Formula weight: | 204.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine |
| OpenEye OEToolkits | 2.0.4 | 1-[2-(methylamino)-3~{H}-benzimidazol-5-yl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12c(ccc(NC(=N)\N)c1)nc(n2)NC |
| InChI | InChI | 1.03 | InChI=1S/C9H12N6/c1-12-9-14-6-3-2-5(13-8(10)11)4-7(6)15-9/h2-4H,1H3,(H4,10,11,13)(H2,12,14,15) |
| InChIKey | InChI | 1.03 | VXGAAYFONQATFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1[nH]c2cc(NC(N)=N)ccc2n1 |
| SMILES | CACTVS | 3.385 | CNc1[nH]c2cc(NC(N)=N)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC |
| SMILES | OpenEye OEToolkits | 2.0.4 | CNc1[nH]c2cc(ccc2n1)NC(=N)N |
