62O
Summary
| Name: | 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole |
| Formula: | C11 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 214.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole |
| OpenEye OEToolkits | 2.0.4 | 6-methoxy-2-(1~{H}-pyrazol-5-yl)-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12c(ccc(OC)c1)nc(n2)c3ccnn3 |
| InChI | InChI | 1.03 | InChI=1S/C11H10N4O/c1-16-7-2-3-8-10(6-7)14-11(13-8)9-4-5-12-15-9/h2-6H,1H3,(H,12,15)(H,13,14) |
| InChIKey | InChI | 1.03 | KSQSJEOPBMYGOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc([nH]c2c1)c3[nH]ncc3 |
| SMILES | CACTVS | 3.385 | COc1ccc2nc([nH]c2c1)c3[nH]ncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc2c(c1)[nH]c(n2)c3ccn[nH]3 |
