A1DOE
Summary
| Name: | 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1H-1,3-benzimidazole |
| Formula: | C14 H13 N3 S |
| Formal charge: | 0 |
| Formula weight: | 255.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1H-1,3-benzimidazole |
| OpenEye OEToolkits | 3.1.0.0 | 4-(benzimidazol-1-ylmethyl)-2-cyclopropyl-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C(c1csc(n1)C1CC1)n1cnc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H13N3S/c1-2-4-13-12(3-1)15-9-17(13)7-11-8-18-14(16-11)10-5-6-10/h1-4,8-10H,5-7H2 |
| InChIKey | InChI | 1.06 | SKPHUCBOKAGPAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC1c2scc(Cn3cnc4ccccc34)n2 |
| SMILES | CACTVS | 3.385 | C1CC1c2scc(Cn3cnc4ccccc34)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)ncn2Cc3csc(n3)C4CC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)ncn2Cc3csc(n3)C4CC4 |
