(Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine

C22H18FN3O — CID 5480610

IUPAC(Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine
SMILESFc1ccc(/C(Cn2ccnc2)=N/OCc2cccc3ccccc23)cc1
InChIInChI=1S/C22H18FN3O/c23-20-10-8-18(9-11-20)22(14-26-13-12-24-16-26)25-27-15-19-6-3-5-17-4-1-2-7-21(17)19/h1-13,16H,14-15H2/b25-22+
InChIKeyGPPQLUQOCJFZFN-YYDJUVGSSA-N
MW359.40 g/mol
LogP4.80
Rot. Bonds6

About (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine

(Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine (PubChem CID 5480610) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine
PubChem CID5480610
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name(Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine
SMILESFc1ccc(/C(Cn2ccnc2)=N/OCc2cccc3ccccc23)cc1
InChIInChI=1S/C22H18FN3O/c23-20-10-8-18(9-11-20)22(14-26-13-12-24-16-26)25-27-15-19-6-3-5-17-4-1-2-7-21(17)19/h1-13,16H,14-15H2/b25-22+
InChIKeyGPPQLUQOCJFZFN-YYDJUVGSSA-N
XLogP4.80
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine?
The IUPAC name of (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine (CID 5480610) is (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine is Fc1ccc(/C(Cn2ccnc2)=N/OCc2cccc3ccccc23)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine?
The InChIKey is GPPQLUQOCJFZFN-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-20-10-8-18(9-11-20)22(14-26-13-12-24-16-26)25-27-15-19-6-3-5-17-4-1-2-7-21(17)19/h1-13,16H,14-15H2/b25-22+.
What are the key properties of (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine?
(Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine has a molecular weight of 359.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-2-imidazol-1-yl-N-(naphthalen-1-ylmethoxy)ethanimine is sourced from PubChem (CID 5480610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).