1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C15H11FN2OS — CID 892528

IUPAC1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccc(F)cc2)C(=S)N1c1ccccc1
InChIInChI=1S/C15H11FN2OS/c16-11-6-8-12(9-7-11)17-10-14(19)18(15(17)20)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyRZXNXTSEXXPHDB-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 892528) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID892528
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccc(F)cc2)C(=S)N1c1ccccc1
InChIInChI=1S/C15H11FN2OS/c16-11-6-8-12(9-7-11)17-10-14(19)18(15(17)20)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyRZXNXTSEXXPHDB-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylthiohydantoin
CID 700731
1-Phenylimidazolidine-2,4-dione
CID 570576
2-Imidazolidinone, 1,3-diphenyl-
CID 975958
3-Phenylimidazolidine-2,4-dione
CID 227930
1,2,4-Thiadiazolidin-5-one, 2,4-diphenyl-3-thioxo-
CID 6539150
Methyl (4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)acetate
CID 888423
1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872314
1-Butyl-3-phenyl-2-thioxoimidazolidine-4,5-dione
CID 1777829
3-(4-Fluoro-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10616695
Hexahydro-2-phenyl-3-thioxo-1H-pyrrolo(1,2-c)imidazol-1-one
CID 100798
1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-
CID 73139

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 892528) is 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1CN(c2ccc(F)cc2)C(=S)N1c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RZXNXTSEXXPHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-6-8-12(9-7-11)17-10-14(19)18(15(17)20)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 892528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).