≥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.
| Sonrisas canónicas | C1CC(CN(C1)C2=NC3=CC=CC=C3N2C4=C(C=CC=N4)C#N)CO |
|---|---|
| IUPAC Name | 2-[2-[3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]pyridine-3-carbonitrile |
| InChIKey | YWPNLDWNJSXZJM-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N5O/c20-11-15-6-3-9-21-18(15)24-17-8-2-1-7-16(17)22-19(24)23-10-4-5-14(12-23)13-25/h1-3,6-9,14,25H,4-5,10,12-13H2 |
| Isómeros SMILES | C1CC(CN(C1)C2=NC3=CC=CC=C3N2C4=C(C=CC=N4)C#N)CO |
| PubChem CID | 45786607 |
| Peso molecular | 333.395 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Dialkylarylamines 3-pyridinecarbonitriles Piperidines N-substituted imidazoles Benzenoids Aminoimidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Dialkylarylamine - 3-pyridinecarbonitrile - Aminoimidazole - N-substituted imidazole - Piperidine - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Cyanide - Primary alcohol - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 333.400 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 333.159 Da |
| Monoisotopic Mass | 333.159 Da |
| Topological Polar Surface Area | 78.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-(2-(3-(hydroxymethyl)piperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile - ≥95% CAS No(1146080-74-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1043018.jpg)