T91
Summary
| Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide |
| Formula: | C14 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 245.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(1~{H}-benzimidazol-2-yl)ethyl]-2,2-dimethyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17) |
| InChIKey | InChI | 1.03 | UNNWFVAPBAIWDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1 |
