≥98%(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 | CC1(C(N(C(=O)N1CC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)N(C(=O)NC4=CC=C(C=C4)Cl)O)C |
|---|---|
| IUPAC Name | 2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]acetamide |
| InChIKey | JTUXTPWYZXWOIB-UHFFFAOYSA-N |
| INCHI | 1S/C27H25Cl2N7O7/c1-27(2)24(35(40)25(38)31-19-9-5-17(28)6-10-19)34(20-11-7-18(29)8-12-20)26(39)33(27)16-22(37)32-30-15-3-4-21-13-14-23(43-21)36(41)42/h3-15,24,40H,16H2,1-2H3,(H,31,38)(H,32,37) |
| Isomeric SMILES | CC1(C(N(C(=O)N1CC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)N(C(=O)NC4=CC=C(C=C4)Cl)O)C |
| Molecular Weight | 630.44 |
| Reaxy-Rn | 21494620 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21494620&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 |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylimidazolidines |
| Alternative Parents | Alpha amino acids and derivatives N-phenylureas Nitroaromatic compounds Nitrofurans Chlorobenzenes Aryl chlorides Imidazolidinones Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylimidazolidine - Alpha-amino acid or derivatives - N-phenylurea - Nitroaromatic compound - 2-nitrofuran - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Heteroaromatic compound - Furan - Organic nitro compound - C-nitro compound - Urea - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group. |
| External Descriptors | Not available |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 63.04, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 630.400 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 629.119 Da |
| Monoisotopic Mass | 629.119 Da |
| Topological Polar Surface Area | 177.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1090.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
