A1CQC
Summary
| Name: | 1-(1H-1,3-benzimidazol-2-yl)ethan-1-one |
| Formula: | C9 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 160.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(1H-1,3-benzimidazol-2-yl)ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-(1~{H}-benzimidazol-2-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)c1nc2ccccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C9H8N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-5H,1H3,(H,10,11) |
| InChIKey | InChI | 1.06 | UYFMRVDIXXOWLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1[nH]c2ccccc2n1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1[nH]c2ccccc2n1 |
