5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C16H12N2O2S — CID 2854226

IUPAC5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H12N2O2S/c19-15-14(17-16(21)18-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H2,17,18,19,21)
InChIKeyHLVPIZURNZTVCM-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.82
Rot. Bonds3

About 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2854226) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID2854226
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H12N2O2S/c19-15-14(17-16(21)18-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H2,17,18,19,21)
InChIKeyHLVPIZURNZTVCM-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
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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Related Compounds

(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6005649
5-{4-[(3-Fluorobenzyl)oxy]benzylidene}-3-methyl-2-thioxo-4-imidazolidinone
CID 5415547
(5Z)-5-[[4-(2-cyclohexylethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 46233607
(5E)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 872368
(5Z)-5-[(2E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-thioxoimidazolidin-4-one
CID 2057001
5-{2-[(4-Fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 2179287
5-[2-(Benzyloxy)benzylidene]-3-methyl-2-thioxo-4-imidazolidinone
CID 5415536
5-{2-[(3-Fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxoimidazolidin-4-one
CID 5431170
(5Z)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5433603
(5Z)-5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5851045
(5Z)-5-{4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxoimidazolidin-4-one
CID 2179340
1,3-Dimethyl-5-{4-[(3-methylbenzyl)oxy]benzylidene}-2-thioxo-4-imidazolidinone
CID 1290336

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 2854226) is 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HLVPIZURNZTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-15-14(17-16(21)18-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H2,17,18,19,21).
What are the key properties of 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 296.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2854226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).