(5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one

C17H11F3N2O2S — CID 37467136

IUPAC(5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)NC(=S)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-13-8-6-12(7-9-13)22-15(23)14(21-16(22)25)10-11-4-2-1-3-5-11/h1-10H,(H,21,25)/b14-10+
InChIKeyRRVAEUXKPKGSTG-GXDHUFHOSA-N
MW364.35 g/mol
LogP3.85
Rot. Bonds3

About (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one

(5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one (PubChem CID 37467136) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
PubChem CID37467136
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name(5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)NC(=S)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)24-13-8-6-12(7-9-13)22-15(23)14(21-16(22)25)10-11-4-2-1-3-5-11/h1-10H,(H,21,25)/b14-10+
InChIKeyRRVAEUXKPKGSTG-GXDHUFHOSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one (CID 37467136) is (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one is O=C1/C(=C\c2ccccc2)NC(=S)N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
The InChIKey is RRVAEUXKPKGSTG-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-13-8-6-12(7-9-13)22-15(23)14(21-16(22)25)10-11-4-2-1-3-5-11/h1-10H,(H,21,25)/b14-10+.
What are the key properties of (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one?
(5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one has a molecular weight of 364.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-sulfanylidene-3-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one is sourced from PubChem (CID 37467136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).