A1BMO
Summary
| Name: | 1-methyl-N-(2-methylpropyl)-1H-imidazole-2-carboxamide |
| Formula: | C9 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 181.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-(2-methylpropyl)-1H-imidazole-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-(2-methylpropyl)imidazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC(C)C)c1nccn1C |
| InChI | InChI | 1.06 | InChI=1S/C9H15N3O/c1-7(2)6-11-9(13)8-10-4-5-12(8)3/h4-5,7H,6H2,1-3H3,(H,11,13) |
| InChIKey | InChI | 1.06 | ITOJSUFSGQMSOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CNC(=O)c1nccn1C |
| SMILES | CACTVS | 3.385 | CC(C)CNC(=O)c1nccn1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)CNC(=O)c1nccn1C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)CNC(=O)c1nccn1C |
