2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

Base Information

• Chemical Name: 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
• CAS No.: 4904-18-1
• Molecular Formula: C20H20Cl2N5O3+
• Molecular Weight: 449.31
• DSSTox Substance ID: DTXSID00362771
• Wikidata: Q82146171
• ChEMBL ID: CHEMBL1623417
• Mol file: 4904-18-1.mol

Synonyms:ST50162452;CHEMBL1623417;DTXSID00362771;STL042549;STL276919;AKOS002272150;AKOS022111233;2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide;3-(3,4-dichlorophenyl)-1-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2-oxoethyl}-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium;3-(3,4-dichlorophenyl)-1-{2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-2-oxoethyl}-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium

Chemical Property of 2-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 448.0943199
• Heavy Atom Count: 30
• Complexity: 763

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=O)N(C1=O)C)NC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC(=C(C=C4)Cl)Cl