AQF
Summary
| Name: | 2-(chloromethyl)-1H-benzimidazole |
| Formula: | C8 H7 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 166.608 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(chloromethyl)-1H-benzimidazole |
| OpenEye OEToolkits | 2.0.7 | 2-(chloromethyl)-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCc1nc2ccccc2[NH]1 |
| InChI | InChI | 1.03 | InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11) |
| InChIKey | InChI | 1.03 | SPMLMLQATWNZEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | ClCc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CCl |
