ZO9
Summary
| Name: | 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine |
| Formula: | C13 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 255.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine |
| OpenEye OEToolkits | 1.9.2 | 4-[1-(cyclopropylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1onc(N)c1c2nc4c(n2CC3CC3)cccc4 |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17) |
| InChIKey | InChI | 1.03 | LLDVRUBUBPSOMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nonc1c2nc3ccccc3n2CC4CC4 |
| SMILES | CACTVS | 3.385 | Nc1nonc1c2nc3ccccc3n2CC4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N |
