8TD
Summary
| Name: | 5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one |
| Formula: | C9 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 177.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one |
| OpenEye OEToolkits | 2.0.6 | 5-azanyl-1,3-dimethyl-benzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C)C(=O)N(c2cc(N)ccc12)C |
| InChI | InChI | 1.03 | InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | JHKRQZQRGCCWOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(N)ccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2cc(N)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2N(C1=O)C)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccc(cc2N(C1=O)C)N |
