Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NCC(C4=CC(=CC=C4)Cl)O)N5CCOCC5 |
|---|---|
| IUPAC Name | 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one |
| InChIKey | ZWVZORIKUNOTCS-OAQYLSRUSA-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)/t21-/m1/s1 |
| Isómeros SMILES | CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NC[C@H](C4=CC(=CC=C4)Cl)O)N5CCOCC5 |
| Peso molecular | 479.97 |
| Reaxy-Rn | 11849297 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11849297&ln= |
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 | Organoheterocyclic compounds |
| Clase | 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 |
| 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 | |
| Certificate of Analysis | Apr 18, 2025 | B126005 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 48, Max Conc. mM: 100 |
|---|---|
| Sensibilidad | light & Moisture sensitive |
| Peso molecular | 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 | 1 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →