Molecular Details

DICL_CP_0361716 - 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0361716

PubChem CID

3198

Molecular Formula

C₁₈H₁₅Cl₃N₂O

Molecular Weight

381.69 g/mol

Synonyms/Alias

[econazole; 27220-47-9; Ecostatin; Econazolum; Econazol; (+-)-Econazole; 1-[2-[(4-chlorophenyl)methoxy]-2-(2;4-dichlorophenyl)ethyl]imidazole; Spectazole; UNII-6Z1Y2V4A7M; NSC 187789; NSC-187789; 6Z1Y...[econazole; 27220-47-9; Ecostatin; Econazolum; Econazol; (+-)-Econazole; 1-[2-[(4-chlorophenyl)methoxy]-2-(2;4-dichlorophenyl)ethyl]imidazole; Spectazole; UNII-6Z1Y2V4A7M; NSC 187789; NSC-187789; 6Z1Y2V4A7M; CCRIS 9032; Econazol [INN-Spanish]; EINECS 248-341-6; BRN 0964150; (+/-)-ECONAZOLE; 1-(2-((4-Chlorobenzyl)oxy)-2-(2;4-dichlorophenyl)ethyl)-1H-imidazole; 1H-Imidazole; 1-(2-((4-chlorophenyl)methoxy)-2-(2;4-dichlorophenyl)ethyl)-; DTXSID2029872; CHEBI:82873; SQ 13050; 1-[2-[(4-Chlorophenyl)methoxy]-2-(2;4-dichlorophenyl)ethyl]-1H-imidazole; 1-{2-[(4-chlorophenyl)methoxy]-2-(2;4-dichlorophenyl)ethyl}-1H-imidazole; NSC187789; (+/-)-Econazol; 1-(2;4-Dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)imidazole; Econazol (INN-Spanish); 1-{2-[(4-chlorobenzyl)oxy]-2-(2;4-dichlorophenyl)ethyl}-1H-imidazole; ECONAZOLE (MART.); ECONAZOLE [MART.]; ECONAZOLE (EP MONOGRAPH); ECONAZOLE [EP MONOGRAPH]; Ekonazole; Imidazole; 1;2;4-dichloro-beta-(p-chlorobenzyl)oxyphenethyl-; 1-(2;4-Dichloro-.beta.-((p-chlorobenzyl)oxy)phenethyl)imidazole; 1-[2;4-Dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]imidazole; R-14827; 1-{2-(4-chlorobenzyloxy)-2-(2;4-dichlorophenyl)ethyl}-1H-imidazole; Imidazole; 1-(2;4-dichloro-beta-((p-chlorobenzyl)oxy)phenethyl)-; 1H-Imidazole; 1-[2-[(4-chlorophenyl)methoxy]-2-(2;4-dichlorophenyl)ethyl]-; Econazole [USAN]; MICONAZOLE IMPURITY B (EP IMPURITY); MICONAZOLE IMPURITY B [EP IMPURITY]; Econazole (USAN/INN); NCGC00018258-03; econazolo; Econazole [USAN:INN:BAN]; rac-econazole; 1-(2-(4-chlorobenzyloxy)-2-(2;4-dichlorophenyl)ethyl)-1H-imidazole; 1-[2-(4-Chlorobenzyloxy)-2-(2;4-dichlorophenyl)ethyl]-1H-imidazole; (RS)-econazole; ()-Econazol; Spectrum_001223; ECONAZOLE [INN]; ECONAZOLE [MI]; (.+/-.)-Econazole; Prestwick0_000304; Prestwick1_000304; Prestwick2_000304; Prestwick3_000304; Spectrum2_001439; Spectrum3_001467; Spectrum4_000446; Spectrum5_001033; ECONAZOLE [VANDF]; CHEMBL808; ECONAZOLE [WHO-DD]; SCHEMBL34498; BSPBio_000268; BSPBio_002993; KBioGR_000832; KBioSS_001703; cid_68589; DivK1c_000113; SPBio_001578; SPBio_002487; BPBio1_000296; CHEBI:4754; DTXCID409872; GTPL2446; BDBM31773; KBio1_000113; KBio2_001703; KBio2_004271; KBio2_006839; KBio3_002493; D01AC03; G01AF05; NINDS_000113; HY-B0885; MFCD00800993; s5492; STL483402; AKOS015889868; 1H-Imidazole;4-dichlorophenyl)ethyl]-; CCG-268426; DB01127; IDI1_000113; NCGC00018258-02; NCGC00018258-05; NCGC00018258-06; NCGC00018258-07; NCGC00018258-09; AS-13862; MFCD00058160 (.HNO3); NCI60_001564; NCI60_001947; SBI-0051682.P002; DB-047186; AB00053611; NS00005601; C08068; D03936; F14858; AB00053611-20; AB00053611_21; AB00053611_22; EN300-7371061; 68797-31-9 (.HNO3); A818963; Q417141; MICONAZOLE NITRATE IMPURITY B [EP IMPURITY]; W-107123; BRD-A51820102-008-05-7; BRD-A51820102-008-16-4; 1-[2;4-Dichloro-b-[(p-chlorobenzyl)oxy]phenethyl]imidazole; Imidazole;4-dichloro-.beta.-[(p-chlorobenzyl)oxy]phenethyl]-; 1-{2-(4-chlorobenzyloxy)-2-(2;4-dichlorophenyl)ethyl}imidazole; 1-[2-(4-chloro-benzyloxy)-2-(2;4-dichloro-phenyl)-ethyl]-1H-imidazole; Imidazole; 1-(2;4-dichloro-.beta.-((p-chlorobenzyl)oxy)phenethyl)-; rac-1-(2-(4-chlorobenzyloxy)-2-(2;4-dichlorophenyl)ethyl)-1H-imidazole; 1-[(2RS)-2-[(4-Chlorobenzyl)oxy]-2-(2;4-dichlorophenyl)ethyl]-1H-imidazole]

InChI Key

LEZWWPYKPKIXLL-UHFFFAOYSA-N

InChI

InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,...

IUPAC Name

1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

CAS Number

22916-47-8

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

24 26 0 0 0 0 0 0 0 0999 V2000
-3.8015 -0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2442 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3211 -0...

Download SDF File (2151 bytes)

Experimental Data

Activity Data

Target Ion Channel

epithelial calcium channel (ECaC1)

Uniprot Accession Number

Q9JIP0

Function

Inhibitor

Species

Rattus norvegicus (Rat)

IC₅₀

IC₅₀: 1300 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

Extracellular solution pH 7.4/Intracellular solution pH 7.2

Holding Potential

−100 mV mV

Temperature

20−22 °C

Test Method

Patch-clamping

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1038/sj.bjp.0704272

URL

N/A (Not available)

PMID

11588099

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

5.8014

Complexity

97.671

TPSA (Å²)

27.05

H-Bond Donors

H-Bond Acceptors

Ring Count

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