2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole (CED0173762)

Record Information
Version1.0
Creation Date2026-04-05 16:46:38 UTC
Update Date2026-08-19 10:48:30 UTC
Accession NumberCHEM104653
Identification
Common Name2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole
ClassSmall Molecule
Description
2-Butyl-1-(4-bromobenzyl)-4-chloro-5-(hydroxymethyl)-1H-imidazole belongs to the imidazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C15H18BrClN2O and an average molecular weight of 357.67 g/mol. It has been found in or released from one recorded source, which is drinking water and water supply (drinking water). The recorded exposure route for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H18BrClN2O
Average Molecular Mass357.670 g/mol
Monoisotopic Mass356.029 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C15H18BrClN2O/c1-2-3-4-14-18-15(17)13(10-20)19(14)9-11-5-7-12(16)8-6-11/h5-8,20H,2-4,9-10H2,1H3
InChI KeyLOSZLEJFCKVKOK-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
115Drinking waterDrinking water & water supplyNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureType-1 angiotensin II receptor BP29089Rattus norvegicusPredicted (SEA)3.97031
Click to view 3D structureType-1 angiotensin II receptorP25104Bos taurusPredicted (SEA)3.65891
Type-2 angiotensin II receptor structureClick to view 3D structureType-2 angiotensin II receptorP50052HumansPredicted (SEA)3.34752
Click to view 3D structureType-2 angiotensin II receptorP35351Rattus norvegicusPredicted (SEA)4.28171
Click to view 3D structureType-1 angiotensin II receptorP34976Oryctolagus cuniculusPredicted (SEA)8.56341
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)20.8636
Click to view 3D structureType-1 angiotensin II receptorQ9WV26Cavia porcellusPredicted (SEA)0.856341
Click to view 3D structureType-1 angiotensin II receptor AP25095Rattus norvegicusPredicted (SEA)31.5289
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)6.38364
Click to view 3D structureComplement component 3a receptor 1, isoform CRA_aA8K2H7Homo sapiensPredicted (SEA)7.39568
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)985.571
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)110.546
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)683.828
Angiotensinogen structureClick to view 3D structureAngiotensinogenP01015Rattus norvegicusPredicted (SEA)14.9471
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)32.7745
Solute carrier organic anion transporter family member 1B3 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B3Q9NPD5HumansPredicted (SEA)22.8877
Sphingosine-1-phosphate transporter SPNS2 structureClick to view 3D structureSphingosine-1-phosphate transporter SPNS2Q8IVW8HumansPredicted (SEA)7.23998
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)24.9896
Short transient receptor potential channel 4 structureClick to view 3D structureShort transient receptor potential channel 4Q9QUQ5Mus musculusPredicted (SEA)193.377
Angiotensinogen structureClick to view 3D structureAngiotensinogenP01019HumansPredicted (SEA)10.3539
Click to view 3D structureAngiotensin type II receptorQ2XUH7Sus scrofaPredicted (SEA)3.58106
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1470.57
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1436.94
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)1038.59
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)964.163
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available