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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCC1=CC2=C(C(=C1O)CN3CCCC(C3)C)OC=C(C2=O)C4=NC5=CC=CC=C5N4 |
|---|---|
| IUPAC Name | 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]chromen-4-one |
| InChIKey | IZHHXDOFPJSZLO-UHFFFAOYSA-N |
| INCHI | 1S/C25H27N3O3/c1-3-16-11-17-23(30)19(25-26-20-8-4-5-9-21(20)27-25)14-31-24(17)18(22(16)29)13-28-10-6-7-15(2)12-28/h4-5,8-9,11,14-15,29H,3,6-7,10,12-13H2,1-2H3,(H,26,27) |
| Peso molecular | 417.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Benzimidazoles Pyranones and derivatives Aralkylamines Piperidines Benzenoids Imidazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Benzimidazole - Pyranone - Aralkylamine - Piperidine - Pyran - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| Peso molecular | 417.500 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 417.205 Da |
| Monoisotopic Mass | 417.205 Da |
| Topological Polar Surface Area | 78.500 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 697.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-8-((3-methylpiperidin-1-yl)methyl)-4H-chromen-4-one , CAS No.610759-65-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)