(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride

C18H14ClF4N3O — CID 20844811

IUPAC(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride
SMILESCl.Fc1ccc(/C=N/OC(Cn2ccnc2)c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C18H13F4N3O.ClH/c19-13-2-1-12(16(21)7-13)9-24-26-18(10-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;/h1-9,11,18H,10H2;1H/b24-9+;
InChIKeyGYXMPUYLJLBCHH-REHAKMGWSA-N
MW399.78 g/mol
LogP4.65
Rot. Bonds6

About (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride

(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride (PubChem CID 20844811) has the molecular formula C18H14ClF4N3O and a molecular weight of 399.78 g/mol. Its IUPAC name is (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride.

Molecular Properties

Compound Name(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride
PubChem CID20844811
Molecular FormulaC18H14ClF4N3O
Molecular Weight399.78 g/mol
Exact Mass399.08
IUPAC Name(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride
SMILESCl.Fc1ccc(/C=N/OC(Cn2ccnc2)c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C18H13F4N3O.ClH/c19-13-2-1-12(16(21)7-13)9-24-26-18(10-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;/h1-9,11,18H,10H2;1H/b24-9+;
InChIKeyGYXMPUYLJLBCHH-REHAKMGWSA-N
XLogP4.65
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole
CID 164615928
1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
CID 21402241
2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 176550837
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride?
The IUPAC name of (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride (CID 20844811) is (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride.
What is the SMILES notation for (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride?
The canonical SMILES for (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride is Cl.Fc1ccc(/C=N/OC(Cn2ccnc2)c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride?
The InChIKey is GYXMPUYLJLBCHH-REHAKMGWSA-N. The full InChI is InChI=1S/C18H13F4N3O.ClH/c19-13-2-1-12(16(21)7-13)9-24-26-18(10-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;/h1-9,11,18H,10H2;1H/b24-9+;.
What are the key properties of (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride?
(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride has a molecular weight of 399.78 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride is sourced from PubChem (CID 20844811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).