for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NCC(C4=CC(=CC=C4)Cl)O)N5CCOCC5 |
|---|---|
| IUPAC Name | 4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one |
| InChIKey | ZWVZORIKUNOTCS-UHFFFAOYSA-N |
| INCHI | 1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33) |
| Molecular Weight | 480.000 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Dialkylarylamines Secondary alkylarylamines Pyridinones Chlorobenzenes Aminopyridines and derivatives Dihydropyridines Aralkylamines Aryl chlorides Morpholines Vinylogous amides Imidazoles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Dihydropyridine - Halobenzene - Chlorobenzene - Pyridinone - Secondary aliphatic/aromatic amine - Aminopyridine - Aralkylamine - Aryl halide - Aryl chloride - Morpholine - Monocyclic benzene moiety - Oxazinane - Pyridine - Hydropyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - 1,2-aminoalcohol - Secondary alcohol - Lactam - Tertiary amine - Oxacycle - Azacycle - Ether - Secondary amine - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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 | 480.000 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 479.172 Da |
| Monoisotopic Mass | 479.172 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 801.000 |
| 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 |
![4-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-3H-1,3-benzodiazol-2-yl]-1H-pyridin-2-one , CAS No.135398504](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)