2-(2,3-Dichlorophenyl)-1,3-diphenylimidazolidine , CAS No.303772-03-4

CAS: 303772-03-4 Cat. No.: D989776 Molecular Weight: 369.300

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1CN(C(N1C2=CC=CC=C2)C3=C(C(=CC=C3)Cl)Cl)C4=CC=CC=C4
• IUPAC Name: 2-(2,3-dichlorophenyl)-1,3-diphenylimidazolidine
• InChIKey: NVGCVSSRZCJFRG-UHFFFAOYSA-N
• INCHI: 1S/C21H18Cl2N2/c22-19-13-7-12-18(20(19)23)21-24(16-8-3-1-4-9-16)14-15-25(21)17-10-5-2-6-11-17/h1-13,21H,14-15H2
• Molecular Weight: 369.300

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Dichlorobenzenes Dialkylarylamines Aniline and substituted anilines Aryl chlorides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - 1,2-dichlorobenzene - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Azacycle - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 369.300 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 368.085 Da
• Monoisotopic Mass: 368.085 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 394.000
• 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