≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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 | CCN1C2=CC=CC=C2N=C1C3=NON=C3N |
|---|---|
| IUPAC Name | 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine |
| InChIKey | HCRQPXYLXXLKPT-UHFFFAOYSA-N |
| INCHI | 1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15) |
| Isomeric SMILES | CCN1C2=CC=CC=C2N=C1C3=NON=C3N |
| PubChem CID | 599038 |
| Molecular Weight | 229.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | 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 - Benzenoid - Imidolactam - Azole - Furazan - Imidazole - Oxadiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Amine - Primary amine - Organopnictogen compound - Hydrocarbon derivative - 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 | 229.240 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 229.096 Da |
| Monoisotopic Mass | 229.096 Da |
| Topological Polar Surface Area | 82.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| 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 |
