10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
inhibiting the interaction of methyl-binding (MBD) proteins with methylated genomic DNA (reversing epigenetic silencing of genes); Androgen Receptor Modulators; inhibited the AR transcriptional activity; Activators of P-glycoprotein; reversing epigenetic silencing of genes;
| ALogP | 3.408 |
|---|---|
| Rotatable Bond | 2 |
| Canonical Smiles | CN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 4-methyl-2-(4-nitrophenyl)imidazo[1,2-a]benzimidazole |
| InChIKey | IBVRCTVMEOHDDP-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N4O2/c1-18-14-4-2-3-5-15(14)19-10-13(17-16(18)19)11-6-8-12(9-7-11)20(21)22/h2-10H,1H3 |
| Isomeric SMILES | CN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
| PubChem CID | 781030 |
| Molecular Weight | 292.29208 |
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 | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Nitrobenzenes Benzimidazoles Nitroaromatic compounds N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Benzimidazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 292.290 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 292.096 Da |
| Monoisotopic Mass | 292.096 Da |
| Topological Polar Surface Area | 68.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 432.000 |
| 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 |
