(5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one

C19H17FN2OS — CID 26495085

IUPAC(5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)c1ccc(N2C(=O)/C(=C\c3cccc(F)c3)NC2=S)cc1
InChIInChI=1S/C19H17FN2OS/c1-12(2)14-6-8-16(9-7-14)22-18(23)17(21-19(22)24)11-13-4-3-5-15(20)10-13/h3-12H,1-2H3,(H,21,24)/b17-11+
InChIKeyKWJKNMWWDYYQRA-GZTJUZNOSA-N
MW340.42 g/mol
LogP4.21
Rot. Bonds3

About (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 26495085) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID26495085
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name(5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESCC(C)c1ccc(N2C(=O)/C(=C\c3cccc(F)c3)NC2=S)cc1
InChIInChI=1S/C19H17FN2OS/c1-12(2)14-6-8-16(9-7-14)22-18(23)17(21-19(22)24)11-13-4-3-5-15(20)10-13/h3-12H,1-2H3,(H,21,24)/b17-11+
InChIKeyKWJKNMWWDYYQRA-GZTJUZNOSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 26495085) is (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one is CC(C)c1ccc(N2C(=O)/C(=C\c3cccc(F)c3)NC2=S)cc1.
What is the InChIKey of (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KWJKNMWWDYYQRA-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-12(2)14-6-8-16(9-7-14)22-18(23)17(21-19(22)24)11-13-4-3-5-15(20)10-13/h3-12H,1-2H3,(H,21,24)/b17-11+.
What are the key properties of (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 340.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-fluorophenyl)methylidene]-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 26495085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).