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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sorrisi canonici | CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=CN6CCCCC6=N5 |
|---|---|
| IUPAC Name | 2-[4-[[2-ethyl-4-methyl-6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid |
| InChIKey | SOYCBUUKISWFER-UHFFFAOYSA-N |
| INCHI | 1S/C31H30N4O2/c1-3-28-33-30-20(2)16-23(26-19-34-15-7-6-10-29(34)32-26)17-27(30)35(28)18-21-11-13-22(14-12-21)24-8-4-5-9-25(24)31(36)37/h4-5,8-9,11-14,16-17,19H,3,6-7,10,15,18H2,1-2H3,(H,36,37) |
| Peso molecolare | 490.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Imidazopyridines Benzoic acids Benzimidazoles Benzoyl derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Biphenyl - Benzimidazole - Benzoic acid or derivatives - Benzoic acid - Imidazopyridine - Benzoyl - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
| Peso molecolare | 490.600 g/mol |
|---|---|
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 490.237 Da |
| Monoisotopic Mass | 490.237 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 785.000 |
| 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 |