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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=CC(=CC=C1)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C(C)C |
|---|---|
| IUPAC Name | 2-methyl-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide |
| InChIKey | MBMZIQTZLDAYHL-UHFFFAOYSA-N |
| INCHI | 1S/C23H29N3O2/c1-17(2)23(27)24-13-12-22-25-20-10-4-5-11-21(20)26(22)14-7-15-28-19-9-6-8-18(3)16-19/h4-6,8-11,16-17H,7,12-15H2,1-3H3,(H,24,27) |
| Peso molecular | 379.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 379.500 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 379.226 Da |
| Monoisotopic Mass | 379.226 Da |
| Topological Polar Surface Area | 56.200 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| 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 |
![2-methyl-N-(2-{1-[3-(3-methylphenoxy)propyl]-1H-benzimidazol-2-yl}ethyl)propanamide , CAS No.695174-78-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)