A1C2U
Summary
| Name: | 1H-1,3-benzimidazole-5-carbaldehyde |
| Formula: | C8 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 146.146 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1H-1,3-benzimidazole-5-carbaldehyde |
| OpenEye OEToolkits | 3.1.0.0 | 1~{H}-benzimidazole-5-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=Cc1cc2nc[NH]c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10) |
| InChIKey | InChI | 1.06 | ALCHVVTYAHQOFY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc2[nH]cnc2c1 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc2[nH]cnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C=O)nc[nH]2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1C=O)nc[nH]2 |
