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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCOCCCNC1=C2CCCC2=C(C3=NC4=CC=CC=C4N13)C#N |
|---|---|
| IUPAC Name | 16-(3-ethoxypropylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile |
| InChIKey | KQMWRLUPFZJGPG-UHFFFAOYSA-N |
| INCHI | 1S/C20H22N4O/c1-2-25-12-6-11-22-19-15-8-5-7-14(15)16(13-21)20-23-17-9-3-4-10-18(17)24(19)20/h3-4,9-10,22H,2,5-8,11-12H2,1H3 |
| Peso molecular | 334.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Imidazo[1,2-a]pyridines Secondary alkylarylamines Aminopyridines and derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Nitriles Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Imidazo[1,2-a]pyridine - Aminopyridine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Benzenoid - Pyridine - Azole - Imidazole - Heteroaromatic compound - Dialkyl ether - Ether - Azacycle - Carbonitrile - Nitrile - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 334.400 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 334.179 Da |
| Monoisotopic Mass | 334.179 Da |
| Topological Polar Surface Area | 62.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 503.000 |
| 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 |
![11-[(3-ethoxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile - CAS No(307327-31-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/9/E949195.jpg)