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BioReagent, for Microscopy, Biological Stain, for Fluorescence analysis, ≥98% Biological Stain,BioReagent,for Fluorescence analysis,for Microscopy for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Avoid repeated freezing and thawing 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 | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)I |
|---|---|
| IUPAC Name | 2-(4-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole |
| InChIKey | WSBVZEKIZWIJQO-UHFFFAOYSA-N |
| INCHI | 1S/C25H23IN6/c1-31-10-12-32(13-11-31)19-7-9-21-23(15-19)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-5-18(26)6-3-16/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30) |
| Isomeric SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)I |
| Alternate CAS | 158013-43-5 |
| Molecular Weight | 534.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | N-arylpiperazines Phenylimidazoles Dialkylarylamines N-methylpiperazines Iodobenzenes Aryl iodides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - N-arylpiperazine - 2-phenylimidazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Iodobenzene - Halobenzene - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | 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 |
| Solubility | Solubility in DMSO: 20.5 mg/mL (38.36 mM; dissolve with ultrasonication and heating). Hygroscopic DMSO greatly affects the solubility of the product; please use freshly opened DMSO. |
|---|---|
| Molecular Weight | 534.400 g/mol |
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 534.103 Da |
| Monoisotopic Mass | 534.103 Da |
| Topological Polar Surface Area | 63.800 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 634.000 |
| 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 | 1 |
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