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 | CCOCN1C2=C(C=CC(=C2)F)N3C1=C(C(=O)CC3)C(=O)NC4=CC=CC=C4F |
|---|---|
| IUPAC Name | 5-(ethoxymethyl)-7-fluoro-N-(2-fluorophenyl)-3-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide |
| InChIKey | VQOQDABVGWLROX-UHFFFAOYSA-N |
| INCHI | 1S/C21H19F2N3O3/c1-2-29-12-26-17-11-13(22)7-8-16(17)25-10-9-18(27)19(21(25)26)20(28)24-15-6-4-3-5-14(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,28) |
| Isomeric SMILES | CCOCN1C2=C(C=CC(=C2)F)N3C1=C(C(=O)CC3)C(=O)NC4=CC=CC=C4F |
| Alternate CAS | 205701-85-5 |
| PubChem CID | 9822240 |
| MeSH Entry Terms | 5-ethoxymethyl-7-fluoro-3-oxo-1,2,3,5-tetrahydrobenzo(4,5)imidazo(1,2a)pyridine-4-N-(2-fluorophenyl)carboxamide;RWJ 51204;RWJ-51204;RWJ51204 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazopyridines |
| Alternative Parents | Benzimidazoles Anilides N-arylamides Tetrahydropyridines Fluorobenzenes Aryl fluorides Vinylogous amides Secondary carboxylic acid amides Ketene acetals Cyclic ketones Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Anilide - Imidazopyridine - N-arylamide - Fluorobenzene - Halobenzene - Tetrahydropyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Carboxamide group - Cyclic ketone - Secondary carboxylic acid amide - Ketene acetal or derivatives - Ketone - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 399.400 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 399.139 Da |
| Monoisotopic Mass | 399.139 Da |
| Topological Polar Surface Area | 61.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 686.000 |
| 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 |
![Pyrido[1,2-A]benzimidazole-4-carboxamide, 5-(ethoxymethyl)-7-fluoro-N-(2-fluorophenyl)-1,2,3,5-tetrahydro-3-oxo- - CAS No(205701-85-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/1/P1337345.jpg)