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 |