1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CED0157705)

Record Information

Version

1.0

Creation Date

2026-08-22 15:57:26 UTC

Update Date

2026-08-22 15:57:26 UTC

SynCED ID

CED0157705

Secondary Accession Numbers

CHEM217515

Identification

Common Name

1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

Class

Small Molecule

Description

1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is an organic compound with the formula C4H2Cl4N4O2 and an average molecular weight of 279.90 g/mol. 1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione belongs to the imidazolidines, a subclass of azolidines within the organic compounds. This organoheterocyclic compound has been identified in one recorded source, specifically within bleaching agents used in household cleaning and consumer products.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₂Cl₄N₄O₂

Average Molecular Mass

279.900 g/mol

Monoisotopic Mass

277.893 g/mol

CAS Registry Number

776-19-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C4H2Cl4N4O2/c5-9-1-2(11(7)3(9)13)12(8)4(14)10(1)6/h1-2H

InChI Key

TWVLNKKMSLYUQQ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
648.0 Log mg/kg [360:1200]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000597	Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	PubChem
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	PubChem
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	PubChem
CEDs000653	Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.	Textiles, leather & furnishings	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.222 Low confidence Statistical Significance 0.8428 Supporting Reference Compounds 406 E-value 6560.82
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.222 Low confidence Statistical Significance 0.8286 Supporting Reference Compounds 234 E-value 6450.98
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.222 Low confidence Statistical Significance 0.317 Supporting Reference Compounds 55 E-value 2467.98
Click to view 3D structure	Cathepsin G	P08311	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.238 Low confidence Statistical Significance 0.5596 Supporting Reference Compounds 55 E-value 4356.52
Click to view 3D structure	Neutrophil elastase	P08246	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.238 Low confidence Statistical Significance 0.6791 Supporting Reference Compounds 81 E-value 5286.74
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.222 Low confidence Statistical Significance 0.4041 Supporting Reference Compounds 40 E-value 3146.12
Click to view 3D structure	Synaptic vesicle glycoprotein 2A	Q02563	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0228 Supporting Reference Compounds 1 E-value 177.341
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.238 Low confidence Statistical Significance 0.9601 Supporting Reference Compounds 331 E-value 7474.07
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.171 Low confidence Statistical Significance 0.9442 Supporting Reference Compounds 226 E-value 7350.76
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.171 Low confidence Statistical Significance 0.9445 Supporting Reference Compounds 227 E-value 7353.01
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.222 Low confidence Statistical Significance 0.9721 Supporting Reference Compounds 215 E-value 7567.8
Click to view 3D structure	Beta-lactamase SHV-55	Q4TVR4	Klebsiella pneumoniae	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.15 Low confidence Statistical Significance 0.0093 Supporting Reference Compounds 1 E-value 72.0884
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.176 Low confidence Statistical Significance 0.9657 Supporting Reference Compounds 372 E-value 7518.06
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.176 Low confidence Statistical Significance 0.979 Supporting Reference Compounds 472 E-value 7621.67
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.176 Low confidence Statistical Significance 0.9578 Supporting Reference Compounds 332 E-value 7456.63
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.176 Low confidence Statistical Significance 0.9687 Supporting Reference Compounds 407 E-value 7541.49
Click to view 3D structure	Chymotrypsin-C	Q99895	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.238 Low confidence Statistical Significance 0.6148 Supporting Reference Compounds 20 E-value 4786.48
Click to view 3D structure	Beta-lactamase	P24735	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.171 Low confidence Statistical Significance 0.1296 Supporting Reference Compounds 12 E-value 1009.08
Click to view 3D structure	Beta-lactamase TEM-1	Q4GY26	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.171 Low confidence Statistical Significance 0.0258 Supporting Reference Compounds 2 E-value 201.24
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.157 Low confidence Statistical Significance 0.9667 Supporting Reference Compounds 201 E-value 7525.37
Click to view 3D structure	Peptidoglycan D,D-transpeptidase MrdA	P0AD65	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.167 Low confidence Statistical Significance 0.0106 Supporting Reference Compounds 2 E-value 82.598
Click to view 3D structure	Beta-lactamase	P05364	Enterobacter cloacae	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.171 Low confidence Statistical Significance 0.1515 Supporting Reference Compounds 22 E-value 1179.81
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.171 Low confidence Statistical Significance 0.9765 Supporting Reference Compounds 296 E-value 7601.74
Click to view 3D structure	Beta-lactamase TEM	P62593	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.171 Low confidence Statistical Significance 0.2102 Supporting Reference Compounds 10 E-value 1636.31
Click to view 3D structure	Flap endonuclease 1	P39748	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.152 Low confidence Statistical Significance 0.6485 Supporting Reference Compounds 17 E-value 5048.44