chempirical

Skf 96365

C22H27ClN2O3CAS 130495-35-1402.92 g/mol

Open in Covalent MOL file
OONNOHCl
Ether

Properties

Molecular formula
C22H27ClN2O3
Molar mass
402.92 g/mol
Exact mass
402.1710 Da
logP
4.71Crippen estimate
Polar surface area
45.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
10

Identifiers

CAS number
130495-35-1
SMILES
COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1.Cl
InChIKey
FWLPKVQUECFKSW-UHFFFAOYSA-N
InChI
InChI=1S/C22H26N2O3.ClH/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19;/h5-14,17,22H,3-4,15-16H2,1-2H3;1H

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Names and synonyms

3 names
  • 1H-Imidazole, 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-, hydrochloride (1:1)
  • 1H-Imidazole, 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-, monohydrochloride
  • 1-(2-(4-Methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)-1H-imidazole hydrochloride

Work with Skf 96365

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

1-(4-Methoxyphenyl)-1H-imidazole10040-95-638 % similar Econazole27220-47-936 % similar 1-[2-Chloro-4-(4-chlorophenyl)butyl]-1H-imidazole67085-12-535 % similar 3-(4-Methoxyphenyl)-1-propanol5406-18-835 % similar α-[2-(4-Chlorophenyl)ethyl]-1H-imidazole-1-ethanol67085-11-434 % similar 4-Methoxybenzenebutanol52244-70-934 % similar Fenticonazole72479-26-634 % similar O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-533 % similar

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

Elsewhere

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