chempirical

Croconazole hydrochloride

C18H16Cl2N2OCAS 77174-66-4347.24 g/mol

Open in Covalent MOL file
OClNNHCl
AlkeneAryl halideEther

Properties

Molecular formula
C18H16Cl2N2O
Molar mass
347.24 g/mol
Exact mass
346.0640 Da
Melting point
148.5–150 °C
logP
5.06Crippen estimate
Polar surface area
27.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
77174-66-4
SMILES
C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1.Cl
InChIKey
LWJUIYYIILPRRI-UHFFFAOYSA-N
InChI
InChI=1S/C18H15ClN2O.ClH/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15;/h2-11,13H,1,12H2;1H

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Names and synonyms

5 names
  • 1H-Imidazole, 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]-, hydrochloride (1:1)
  • 1H-Imidazole, 1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]-, monohydrochloride
  • 710674S
  • Croconazole monohydrochloride
  • Pilzcin

Work with Croconazole hydrochloride

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

Neticonazole130726-68-035 % similar 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone46503-52-032 % similar 2-(Benzyloxy)benzoic acid14389-86-732 % similar Oxiconazole64211-45-631 % similar 3-Chlorobenzeneacetonitrile1529-41-530 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook