1,3-Dibenzyl-2-(3,4,5-trimethoxyphenyl)imidazolidine , CAS No.304481-36-5

CAS: 304481-36-5 Cat. No.: D1256318 Peso molecular: 418.5

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=CC(=C1OC)OC)C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4
• IUPAC Name: 1,3-dibenzyl-2-(3,4,5-trimethoxyphenyl)imidazolidine
• InChIKey: UHVPTXLMOGLTFV-UHFFFAOYSA-N
• INCHI: 1S/C26H30N2O3/c1-29-23-16-22(17-24(30-2)25(23)31-3)26-27(18-20-10-6-4-7-11-20)14-15-28(26)19-21-12-8-5-9-13-21/h4-13,16-17,26H,14-15,18-19H2,1-3H3
• Peso molecular: 418.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Alkyl aryl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
• 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: 418.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 418.226 Da
• Monoisotopic Mass: 418.226 Da
• Topological Polar Surface Area: 34.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 479.000
• 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