≥98% 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.
| Canonical Smiles | CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(C4=CC(=C(C=C4)Cl)Cl)O |
|---|---|
| IUPAC Name | 1-(3,4-dichlorophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol |
| InChIKey | LQYDYWMFFKKSFD-UHFFFAOYSA-N |
| INCHI | 1S/C23H21Cl2N3O/c1-15-6-8-16(9-7-15)13-27-20-4-2-3-5-21(20)28(23(27)26)14-22(29)17-10-11-18(24)19(25)12-17/h2-12,22,26,29H,13-14H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(C4=CC(=C(C=C4)Cl)Cl)O |
| PubChem CID | 2881466 |
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 | Dichlorobenzenes Toluenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Secondary alcohol - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Aromatic alcohol - 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 | 426.300 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 425.106 Da |
| Monoisotopic Mass | 425.106 Da |
| Topological Polar Surface Area | 50.600 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 568.000 |
| 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 |
![Alpha-(3,4-Dichlorophenyl)-2,3-dihydro-2-imino-3-[(4-methylphenyl)methyl]-1H-benzimidazole-1-ethanol - ≥98% , CAS No.402940-12-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)