Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ 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 | CN1CCC(CC1)Oc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1Cl)C |
|---|---|
| IUPAC Name | 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide |
| InChIKey | GILNGUYOGYOZMP-MRXNPFEDSA-N |
| INCHI | 1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1 |
| Isomeric SMILES | C[C@H](C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC5CCN(CC5)C)C(=O)N |
| PubChem CID | 16051023 |
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 | 2,3,5-trisubstituted thiophenes Thiophene carboxamides 2-heteroaryl carboxamides Phenol ethers Alkyl aryl ethers Chlorobenzenes Piperidines Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - 2-heteroaryl carboxamide - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - N-substituted imidazole - Piperidine - Benzenoid - Monocyclic benzene moiety - Azole - Thiophene - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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 |
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| Molecular Weight | 511.000 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 510.149 Da |
| Monoisotopic Mass | 510.149 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 727.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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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