Determine the necessary mass, volume, or concentration for preparing a solution.
≥99%(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 | CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5.Cl.Cl.Cl |
|---|---|
| IUPAC Name | 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochloride |
| InChIKey | DTIPEVOPCGEULQ-RFCADEKQSA-N |
| INCHI | 1S/C26H40N4.3ClH/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21;;;/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3;3*1H/t21-;;;/m1.../s1 |
| Isomeric SMILES | CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCCNC5.Cl.Cl.Cl |
| PubChem CID | 25208093 |
| Molecular Weight | 534.05 |
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 |
| Class | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Aralkylamines Piperidines N-substituted imidazoles Benzenoids Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aralkylamine - N-substituted imidazole - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organic nitrogen compound - 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 |
| Solubility | Solvent:water, Max Conc. mg/mL: 16.02, Max Conc. mM: 30; Solvent:DMSO, Max Conc. mg/mL: 32.04, Max Conc. mM: 60 |
|---|---|
| Molecular Weight | 518.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 516.255 Da |
| Monoisotopic Mass | 516.255 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 535.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |