A1AQI
Summary
| Name: | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine |
| Formula: | C10 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 175.23 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine |
| OpenEye OEToolkits | 2.0.7 | 1-propan-2-ylbenzimidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)n1c2ccccc2nc1N |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12) |
| InChIKey | InChI | 1.06 | UDJSHISPNDRJNE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1c(N)nc2ccccc12 |
| SMILES | CACTVS | 3.385 | CC(C)n1c(N)nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2ccccc2nc1N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1c2ccccc2nc1N |
