imazalil

Identification (Source:EPA,EU)

ID 522
Name imazalil
CAS 35554-44-0
IUPAC
Inchi InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
CIPAC 335
EPA Code 111901
Formula C14H14Cl2N2O
SMILES Clc1ccc(c(Cl)c1)C(OC\C=C)Cn2ccnc2
Status Approved

Classification

Mode of Action Systemic with curative and protective properties. Disrupts membrane function.
Pesticide Type Fungicide, Veterinary treatment
Chemical Group Imidazole
Classification conazole fungicides (imidazoles)

Properties (Source:PubChem)

Molecular Weight 297.18
Physical State Yellow-brown oily solid
AlogP 3.349
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 281.76
Polar Surface Area 27.05

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 0.87 mg l-1
Aquatic invertebrates Acute 48 hour EC50 3.5 mg l-1
Birds Acute LD50 510 mg kg-1
Birds Short term dietary LC50/LD50 > 5620 mg/kg feed
Earthworms Acute 14 day LD50 541 mg kg-1
Fish Acute 96 hour LC50 1.48 mg l-1
Fish Chronic 21 day NOEC 0.043 mg l-1
Honeybees Acute 48 hour LD50 35.1 μg bee-1
Mammals Acute oral LD50 227 mg kg-1
Mammals Short term dietary NOEL 2.5 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.181 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 165.4 mg kg-1
Bio-concentration factor BCF 56.3
Bio-concentration factor CT50 35.2 days

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 257(3,3,5,7) Details
cytochrome P450 3A4 85(1,1,1,5) Details
CYP1A1 83(1,1,1,3) Details
demethylase 82(1,1,1,2) Details
peroxisome proliferator activated receptor 41(0,1,2,6) Details
CYP2B 32(0,1,1,2) Details
angiotensin II 32(0,1,1,2) Details
BP22 31(0,1,1,1) Details
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Node List

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