YXH
Summary
| Name: | 1-(1H-benzimidazol-2-yl)methanamine |
| Formula: | C8 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 147.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1H-benzimidazol-2-yl)methanamine |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-benzimidazol-2-ylmethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCc1nc2ccccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11) |
| InChIKey | InChI | 1.06 | UCOSRTUSVXHIMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | NCc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[nH]c(n2)CN |
