Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | COc1ccc2c(c1)ccc(c2)c1c(nc(n1C)c1ccc(cc1C)S(=O)(=O)C)c1ccncc1 |
|---|---|
| IUPAC Name | 4-[5-(6-methoxynaphthalen-2-yl)-1-methyl-2-(2-methyl-4-methylsulfonylphenyl)imidazol-4-yl]pyridine |
| InChIKey | ZDSNJSQTPLXCSG-UHFFFAOYSA-N |
| INCHI | 1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)S(=O)(=O)C)C2=NC(=C(N2C)C3=CC4=C(C=C3)C=C(C=C4)OC)C5=CC=NC=C5 |
| PubChem CID | 44433173 |
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 |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Naphthalenes Benzenesulfonyl compounds 1,2,4,5-tetrasubstituted imidazoles Anisoles Toluenes Alkyl aryl ethers Pyridines and derivatives N-substituted imidazoles Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylimidazole - Naphthalene - 1,2,4,5-tetrasubstituted imidazole - Benzenesulfonyl group - Anisole - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - Azacycle - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
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| Molecular Weight | 483.600 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 483.162 Da |
| Monoisotopic Mass | 483.162 Da |
| Topological Polar Surface Area | 82.500 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 811.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
