chempirical

Isoconazole

C18H14Cl4N2OCAS 27523-40-6416.12 g/mol

Open in Covalent MOL file
ClNNOClClCl
Aryl halideEther

Properties

Molecular formula
C18H14Cl4N2O
Molar mass
416.12 g/mol
Exact mass
413.9860 Da
logP
6.45Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
27523-40-6
SMILES
Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
InChIKey
MPIPASJGOJYODL-UHFFFAOYSA-N
InChI
InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-
  • Imidazole, 1-[2,4-dichloro-β-[(2,6-dichlorobenzyl)oxy]phenethyl]-
  • 1-[2-(2,4-Dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole
  • (±)-Isconazole

Work with Isoconazole

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

Econazole27220-47-980 % similar Isoconazole nitrate24168-96-579 % similar Fenticonazole72479-26-670 % similar Enilconazole35554-44-070 % similar Tioconazole65899-73-270 % similar Sertaconazole99592-32-269 % similar Miconazole nitrate22832-87-765 % similar Econazole nitrate24169-02-664 % similar

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

Same formula

Miconazole22916-47-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook