2-(3,4-dimethoxyphenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide , CAS No.724740-10-7

CAS: 724740-10-7 Cat. No.: D955887 Peso molecular: 401.500

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CC4=CC(=C(C=C4)OC)OC
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
• InChIKey: UAAMCCFTNYAEKM-UHFFFAOYSA-N
• INCHI: 1S/C24H23N3O3/c1-16-5-4-12-27-15-20(26-24(16)27)18-7-9-19(10-8-18)25-23(28)14-17-6-11-21(29-2)22(13-17)30-3/h4-13,15H,14H2,1-3H3,(H,25,28)
• Peso molecular: 401.500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Phenylacetamides Dimethoxybenzenes Anilides Imidazopyridines Imidazo[1,2-a]pyridines Phenoxy compounds N-arylamides Anisoles Alkyl aryl ethers Methylpyridines N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Phenylacetamide - Dimethoxybenzene - O-dimethoxybenzene - Imidazopyridine - Imidazo[1,2-a]pyridine - Anilide - Anisole - Phenol ether - Phenoxy compound - N-arylamide - Methoxybenzene - Methylpyridine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 401.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 401.174 Da
• Monoisotopic Mass: 401.174 Da
• Topological Polar Surface Area: 64.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 566.000
• 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