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BioReagent,for microscopy,Biological Stain,Suitable for molecular biology,≥98% Biological Stain,BioReagent,for Microscopy,Suitable for molecular biology 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=CC=C6I |
|---|---|
| IUPAC Name | 2-(2-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole |
| InChIKey | UOHARKYRPCGBEI-UHFFFAOYSA-N |
| INCHI | 1S/C25H23IN6/c1-31-10-12-32(13-11-31)17-7-9-21-23(15-17)29-24(27-21)16-6-8-20-22(14-16)30-25(28-20)18-4-2-3-5-19(18)26/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=CC=C6I |
| Alternate CAS | 158013-41-3 |
| 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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Phenylimidazoles Benzimidazoles Dialkylarylamines N-methylpiperazines Iodobenzenes Heteroaromatic compounds Trialkylamines Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Enamines Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - 2-phenylimidazole - Benzimidazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl iodide - Vinyl halide - Enamine - Amidine - 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 n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Solubility | Solubility in DMSO: 50 mg/mL (93.56 mM; dissolve with ultrasonication; hygroscopic DMSO significantly affects the solubility of the product, please use freshly opened DMSO); Solubility in H₂O: <0.1 mg/mL (insoluble) |
|---|---|
| Sensitivity | Light-sensitive |
| 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 | 642.000 |
| 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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