Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochloride

Base Information

• Chemical Name: Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochloride
• CAS No.: 253863-00-2
• Molecular Formula: C22H21Cl2N5O
• Molecular Weight: 442.341
• UNII: 2A2059P49U
• DSSTox Substance ID: DTXSID60180034
• Wikidata: Q27254458
• NCI Thesaurus Code: C1840
• ChEMBL ID: CHEMBL4297396
• Mol file: 253863-00-2.mol

Synonyms:L 778,123;L-778,123;L778123

Chemical Property of Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochloride

Chemical Property:

• Vapor Pressure: 2.22E-19mmHg at 25°C
• Boiling Point: 698.9 °C at 760 mmHg
• Flash Point: 376.5 °C
• PSA: 65.16000
• LogP: 4.11018
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 441.1123157
• Heavy Atom Count: 30
• Complexity: 614

Purity/Quality:

99% ^*data from raw suppliers

L-778123HCl >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl.Cl
• Recent ClinicalTrials: L-778,123 in Treating Patients With Recurrent or Refractory Solid Tumors