(5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

C18H15FN2O2S — CID 5396081

IUPAC(5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)NC1=S
InChIInChI=1S/C18H15FN2O2S/c1-21-17(22)16(20-18(21)24)10-12-4-8-15(9-5-12)23-11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H,20,24)/b16-10-
InChIKeyXMNIUZBXXMAEBM-YBEGLDIGSA-N
MW342.40 g/mol
LogP3.09
Rot. Bonds4

About (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5396081) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5396081
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name(5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)NC1=S
InChIInChI=1S/C18H15FN2O2S/c1-21-17(22)16(20-18(21)24)10-12-4-8-15(9-5-12)23-11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H,20,24)/b16-10-
InChIKeyXMNIUZBXXMAEBM-YBEGLDIGSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.09
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 (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 5396081) is (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)NC1=S.
What is the InChIKey of (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XMNIUZBXXMAEBM-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-21-17(22)16(20-18(21)24)10-12-4-8-15(9-5-12)23-11-13-2-6-14(19)7-3-13/h2-10H,11H2,1H3,(H,20,24)/b16-10-.
What are the key properties of (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5396081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).