(5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

C19H17FN2O2S — CID 5431170

IUPAC(5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)N(C)C1=S
InChIInChI=1S/C19H17FN2O2S/c1-21-16(18(23)22(2)19(21)25)11-14-7-3-4-9-17(14)24-12-13-6-5-8-15(20)10-13/h3-11H,12H2,1-2H3/b16-11-
InChIKeyQPDQBBHIWIIBOP-WJDWOHSUSA-N
MW356.42 g/mol
LogP3.43
Rot. Bonds4

About (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5431170) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5431170
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name(5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)N(C)C1=S
InChIInChI=1S/C19H17FN2O2S/c1-21-16(18(23)22(2)19(21)25)11-14-7-3-4-9-17(14)24-12-13-6-5-8-15(20)10-13/h3-11H,12H2,1-2H3/b16-11-
InChIKeyQPDQBBHIWIIBOP-WJDWOHSUSA-N
XLogP3.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
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-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one (CID 5431170) is (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)N(C)C1=S.
What is the InChIKey of (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is QPDQBBHIWIIBOP-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-21-16(18(23)22(2)19(21)25)11-14-7-3-4-9-17(14)24-12-13-6-5-8-15(20)10-13/h3-11H,12H2,1-2H3/b16-11-.
What are the key properties of (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 356.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5431170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).