≥98%(HPLC) 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.
| Canonical Smiles | COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCN3.Cl |
|---|---|
| IUPAC Name | 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride |
| InChIKey | KZUMGPQDDCBFBF-UHFFFAOYSA-N |
| INCHI | 1S/C18H18BrFN2O.ClH/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18;/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22);1H |
| Isomeric SMILES | COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2F)C3=NCCN3.Cl |
| Molecular Weight | 413.71 |
| Reaxy-Rn | 9673207 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9673207&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 | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Imidolactams Imidazolines Carboximidamides Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organobromides Amines Hydrocarbon derivatives Hydrochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - 2-imidazoline - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Solubility | Solvent:water, Max Conc. mg/mL: 4.14, Max Conc. mM: 10; Solvent:DMSO, Max Conc. mg/mL: 41.37, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 413.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 412.035 Da |
| Monoisotopic Mass | 412.035 Da |
| Topological Polar Surface Area | 33.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 420.000 |
| 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 | 2 |
