Determine the necessary mass, volume, or concentration for preparing a solution.
≥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 | C1CN(CCC1CO)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | [1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanol |
| InChIKey | IVXVFSROJNULRF-UHFFFAOYSA-N |
| INCHI | 1S/C20H22FN3O/c21-17-7-5-15(6-8-17)13-24-19-4-2-1-3-18(19)22-20(24)23-11-9-16(14-25)10-12-23/h1-8,16,25H,9-14H2 |
| Isomeric SMILES | C1CN(CCC1CO)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F |
| PubChem CID | 71301887 |
| Molecular Weight | 339.41 |
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 | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Dialkylarylamines Fluorobenzenes Piperidines N-substituted imidazoles Aryl fluorides Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Dialkylarylamine - Fluorobenzene - Halobenzene - Aminoimidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organooxygen compound - Primary alcohol - Amine - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Molecular Weight | 339.400 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 339.175 Da |
| Monoisotopic Mass | 339.175 Da |
| Topological Polar Surface Area | 41.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 421.000 |
| 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 |