≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 504770014 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770014 |
| Canonical Smiles | CCN1C2=CC=CC=C2N(C1=O)C3CCCN(C3)C4=NC=CC(=N4)C5=CC6=CC=CC=C6O5 |
| IUPAC Name | 1-[(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-ethylbenzimidazol-2-one |
| InChIKey | NXTBLPPTZRPJCA-IBGZPJMESA-N |
| INCHI | 1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1 |
| Isomeric SMILES | CCN1C2=CC=CC=C2N(C1=O)[C@H]3CCCN(C3)C4=NC=CC(=N4)C5=CC6=CC=CC=C6O5 |
| PubChem CID | 25198728 |
| Molecular Weight | 439.51 |
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 | Benzofurans Dialkylarylamines Aminopyrimidines and derivatives Piperidines N-substituted imidazoles Benzenoids Heteroaromatic compounds Furans Ureas Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Benzofuran - Dialkylarylamine - Aminopyrimidine - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Azole - Imidazole - Furan - Heteroaromatic compound - Urea - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D23211586 | Certificate of Analysis | Feb 05, 2026 | T287622 |
| D23211595 | Certificate of Analysis | Feb 05, 2026 | T287622 |
| D23211615 | Certificate of Analysis | Feb 05, 2026 | T287622 |
| D23211654 | Certificate of Analysis | Feb 05, 2026 | T287622 |
| I2504107 | Certificate of Analysis | Apr 08, 2023 | T287622 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 43.95, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 439.500 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 439.201 Da |
| Monoisotopic Mass | 439.201 Da |
| Topological Polar Surface Area | 65.700 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 706.000 |
| 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 | 1 |
