≥95% 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.
| Canonical Smiles | CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)NC3=NN(C4=C3C=C(C=C4)Br)COCC[Si](C)(C)C)C5CCC(CC5)O[Si](C)(C)C(C)(C)C |
|---|---|
| IUPAC Name | ethyl 2-[[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]amino]-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]benzimidazole-5-carboxylate |
| InChIKey | XDFSDRPZBGYGQH-UHFFFAOYSA-N |
| INCHI | 1S/C35H52BrN5O4Si2/c1-10-44-33(42)24-11-17-31-29(21-24)37-34(41(31)26-13-15-27(16-14-26)45-47(8,9)35(2,3)4)38-32-28-22-25(36)12-18-30(28)40(39-32)23-43-19-20-46(5,6)7/h11-12,17-18,21-22,26-27H,10,13-16,19-20,23H2,1-9H3,(H,37,38,39) |
| Isomeric SMILES | CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)NC3=NN(C4=C3C=C(C=C4)Br)COCC[Si](C)(C)C)C5CCC(CC5)O[Si](C)(C)C(C)(C)C |
| PubChem CID | 67254460 |
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 | Indazoles Aminoimidazoles Aryl bromides Benzenoids N-substituted imidazoles Imidolactams Trialkylheterosilanes Pyrazoles Heteroaromatic compounds Silyl ethers Carboxylic acid esters Azacyclic compounds Organic metalloid salts Organic oxides Alkylsilanes Organobromides Organooxygen compounds Amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Benzopyrazole - Indazole - Aminoimidazole - Aryl bromide - Aryl halide - Imidolactam - Benzenoid - N-substituted imidazole - Trialkylheterosilane - Azole - Heteroaromatic compound - Imidazole - Pyrazole - Carboxylic acid ester - Silyl ether - Organoheterosilane - Azacycle - Carboxylic acid derivative - Organic metalloid salt - Organooxygen compound - Alkylsilane - Organosilicon compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organohalogen compound - Organic metalloid moeity - Organobromide - Organonitrogen compound - 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 | 742.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 14 |
| Exact Mass | 741.274 Da |
| Monoisotopic Mass | 741.274 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1040.000 |
| 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 |
![1H-Benzimidazole-5-carboxylic acid, 2-[[5-bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazol-3-yl]amino]-1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-, ethyl ester - ≥95% CAS No(1012104-44-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/1/H1013771.jpg)