≥96%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 | CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F.Cl.Cl |
|---|---|
| IUPAC Name | 2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide;dihydrochloride |
| InChIKey | PURFQCFKYNMIQF-UHFFFAOYSA-N |
| INCHI | 1S/C23H25F3N4O5.2ClH/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33;;/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33);2*1H |
| Isomeric SMILES | CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F.Cl.Cl |
| PubChem CID | 56972164 |
| Molecular Weight | 567.39 |
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 | Salicylamides Benzamides 4-alkoxyphenols Benzoyl derivatives 1,2,4-trisubstituted imidazoles Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Vinylogous acids 1,2-aminoalcohols Secondary alcohols Amino acids and derivatives Primary carboxylic acid amides Dialkylamines Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylimidazole - Salicylamide - Salicylic acid or derivatives - 4-alkoxyphenol - Benzamide - Benzoic acid or derivatives - 1,2,4-trisubstituted-imidazole - Phenoxy compound - Benzoyl - Phenol ether - Trisubstituted imidazole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Vinylogous acid - Heteroaromatic compound - Primary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Hydrochloride - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Organooxygen compound - Aromatic heteromonocyclic 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 |
| Solubility | Solvent:water, Max Conc. mg/mL: 24.72, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 567.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 566.131 Da |
| Monoisotopic Mass | 566.131 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 666.000 |
| 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 | 3 |
