Molecular Details

DICL_CP_0361719 - 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0361719

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

39 41 0 0 0 0 0 0 0 0999 V2000
2.7888 -0.8242 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0079 -0.2296 -1.7257 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0153 -0.096...

Download SDF File (3340 bytes)

Experimental Data

Activity Data

Target Ion Channel

epithelial calcium channel (ECaC1)

Uniprot Accession Number

Q9NQA5

Function

Inhibitor

Species

Homo sapiens (Human)

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

pH 7.4

Holding Potential

−150 to 100 mV mV

Temperature

20−22 °C

Test Method

Patch-clamping

Test Species

Not specified

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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