10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
Raf265 derivative, however, the effects of this derivative are not known.
| ALogP | 6.263 |
|---|---|
| Contagem HBD | 3 |
| Ligação rotativa | 7 |
| Sorrisos canónicos | C1=CC(=CC=C1C(F)(F)F)NC2=NC3=C(N2)C=C(C=C3)OC4=CC(=NC=C4)C5=NC=C(N5)C(F)(F)F |
|---|---|
| IUPAC Name | 6-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine |
| InChIKey | UDNNLEQKNPVZON-UHFFFAOYSA-N |
| INCHI | 1S/C23H14F6N6O/c24-22(25,26)12-1-3-13(4-2-12)32-21-33-16-6-5-14(9-17(16)34-21)36-15-7-8-30-18(10-15)20-31-11-19(35-20)23(27,28)29/h1-11H,(H,31,35)(H2,32,33,34) |
| SMILES isoméricas | C1=CC(=CC=C1C(F)(F)F)NC2=NC3=C(N2)C=C(C=C3)OC4=CC(=NC=C4)C5=NC=C(N5)C(F)(F)F |
| PubChem CID | 23654923 |
| Peso molecular | 504.39 |
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 | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Trifluoromethylbenzenes Benzimidazoles Phenol ethers Aniline and substituted anilines Pyridines and derivatives Aminoimidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diaryl ether - Trifluoromethylbenzene - Benzimidazole - Phenol ether - Aniline or substituted anilines - Aminoimidazole - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Secondary amine - Organoheterocyclic compound - Azacycle - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| DMSO (mg/mL) Solubilidade máxima | 101 |
|---|---|
| DMSO (mM) Solubilidade máxima | 200.24 |
| Peso molecular | 504.400 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 504.113 Da |
| Monoisotopic Mass | 504.113 Da |
| Topological Polar Surface Area | 91.500 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 733.000 |
| 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 |
