KBU
Summary
| Name: | 4-chloro-1H-benzimidazole |
| Formula: | C7 H5 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 152.581 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-1H-benzimidazole |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc2[NH]cnc21 |
| InChI | InChI | 1.06 | InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.06 | RPYPMOKNVPZWKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc2[nH]cnc12 |
| SMILES | CACTVS | 3.385 | Clc1cccc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)nc[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)Cl)nc[nH]2 |
