Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)N=C(N2CC3=CC=NC=C3)C4=NON=C4N |
|---|---|
| IUPAC Name | 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine |
| InChIKey | LXADAVBNVFYEBW-UHFFFAOYSA-N |
| INCHI | 1S/C15H12N6O/c16-14-13(19-22-20-14)15-18-11-3-1-2-4-12(11)21(15)9-10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,20) |
| Molecular Weight | 292.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Pyridines and derivatives N-substituted imidazoles Imidolactams Benzenoids Heteroaromatic compounds Furazans Azacyclic compounds Primary amines Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - N-substituted imidazole - Imidolactam - Benzenoid - Pyridine - Azole - Furazan - Imidazole - Heteroaromatic compound - Oxadiazole - Azacycle - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Molecular Weight | 292.300 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 292.107 Da |
| Monoisotopic Mass | 292.107 Da |
| Topological Polar Surface Area | 95.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |