chempirical

Econazole

C18H15Cl3N2OCAS 27220-47-9381.68 g/mol

Open in Covalent MOL file
ClONNClCl
Aryl halideEther

Properties

Molecular formula
C18H15Cl3N2O
Molar mass
381.68 g/mol
Exact mass
380.0250 Da
Melting point
86.8 °C
logP
5.80Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
27220-47-9
SMILES
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
InChIKey
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/h1-9,12,18H,10-11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-
  • Imidazole, 1-[2,4-dichloro-β-[(p-chlorobenzyl)oxy]phenethyl]-
  • 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
  • 1-[2,4-Dichloro-β-[(p-chlorobenzyl)oxy]phenethyl]imidazole
  • (±)-Econazole
  • NSC 187789
  • 1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

Work with Econazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Miconazole22916-47-881 % similar Fenticonazole72479-26-680 % similar Isoconazole27523-40-680 % similar Econazole nitrate24169-02-679 % similar Econazole nitrate68797-31-979 % similar Enilconazole35554-44-070 % similar Tioconazole65899-73-270 % similar Sertaconazole99592-32-266 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook