≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)N=C1C3=C(N=CC=C3)Cl |
|---|---|
| IUPAC Name | ethyl 2-[2-(2-chloropyridin-3-yl)-5,6-dimethylbenzimidazol-1-yl]acetate |
| InChIKey | KQJBMLXUXDKGQO-UHFFFAOYSA-N |
| INCHI | 1S/C18H18ClN3O2/c1-4-24-16(23)10-22-15-9-12(3)11(2)8-14(15)21-18(22)13-6-5-7-20-17(13)19/h5-9H,4,10H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)N=C1C3=C(N=CC=C3)Cl |
| PubChem CID | 1483845 |
| Molecular Weight | 343.81 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Benzimidazoles 2-halopyridines N-substituted imidazoles Benzenoids Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Benzimidazole - 2-halopyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 343.800 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 343.109 Da |
| Monoisotopic Mass | 343.109 Da |
| Topological Polar Surface Area | 57.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 450.000 |
| 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 |
![ethyl 2-[2-(2-chloro-3-pyridinyl)-5,6-dimethyl-1H-1,3-benzimidazol-1-yl]acetate - ≥90% , CAS No.344278-84-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)