≥95% 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 | C1=CC=C(C(=C1)CNC(=O)C2=CC(=CC=C2)N3C=CNC3=S)F |
|---|---|
| IUPAC Name | N-[(2-fluorophenyl)methyl]-3-(2-sulfanylidene-1H-imidazol-3-yl)benzamide |
| InChIKey | DOKNXHOZDFAIRO-UHFFFAOYSA-N |
| INCHI | 1S/C17H14FN3OS/c18-15-7-2-1-4-13(15)11-20-16(22)12-5-3-6-14(10-12)21-9-8-19-17(21)23/h1-10H,11H2,(H,19,23)(H,20,22) |
| Molecular Weight | 327.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | N-benzylbenzamides |
| Alternative Parents | Phenylimidazoles Benzoyl derivatives Fluorobenzenes N-substituted imidazoles Imidazolethiones Aryl fluorides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzylbenzamide - 1-phenylimidazole - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidazole-2-thione - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group. |
| External Descriptors | Not available |
| Molecular Weight | 327.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 327.084 Da |
| Monoisotopic Mass | 327.084 Da |
| Topological Polar Surface Area | 76.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| 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 |
![N-[(2-fluorophenyl)methyl]-3-(2-sulfanyl-1H-imidazol-1-yl)benzamide - ≥95% , CAS No.1146290-02-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)