≥97% 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 | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C(C=C4)N)N.Cl.Cl.Cl |
|---|---|
| IUPAC Name | 4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine;trihydrochloride |
| InChIKey | URIONEIMXRTDNB-UHFFFAOYSA-N |
| INCHI | 1S/C18H22N6.3ClH/c1-23-6-8-24(9-7-23)13-3-5-16-17(11-13)22-18(21-16)12-2-4-14(19)15(20)10-12;;;/h2-5,10-11H,6-9,19-20H2,1H3,(H,21,22);3*1H |
| Isómeros SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C(C=C4)N)N.Cl.Cl.Cl |
| PubChem CID | 78357838 |
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 |
| Clase | Benzimidazoles |
| Subclass | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | N-arylpiperazines Phenylimidazoles Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - N-arylpiperazine - 2-phenylimidazole - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 431.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 430.121 Da |
| Monoisotopic Mass | 430.121 Da |
| Topological Polar Surface Area | 87.200 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 424.000 |
| 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 | 4 |
![4-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)benzene-1,2-diamine trihydrochloride - ≥97% , CAS No.1431697-77-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)