FKX
Summary
| Name: | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid |
| Formula: | C12 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 234.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 3-(2-methylpropyl)-2-oxidanylidene-1~{H}-benzimidazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2NC(=O)N(CC(C)C)c2c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O3/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)13-12(14)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H,15,16) |
| InChIKey | InChI | 1.06 | LBPMNHWGWCEKQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CN1C(=O)Nc2ccc(cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CN1C(=O)Nc2ccc(cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CN1c2cc(ccc2NC1=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CN1c2cc(ccc2NC1=O)C(=O)O |
