JA2
Summary
| Name: | 5-(1H-benzimidazol-2-yl)pentan-1-amine |
| Formula: | C12 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 203.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(1H-benzimidazol-2-yl)pentan-1-amine |
| OpenEye OEToolkits | 1.7.6 | 5-(1H-benzimidazol-2-yl)pentan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1ccccc1nc2CCCCCN |
| InChI | InChI | 1.03 | InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15) |
| InChIKey | InChI | 1.03 | XTJRXHPNZGDOGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | NCCCCCc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)CCCCCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)CCCCCN |
