3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one

C16H13N3OS — CID 91945300

IUPAC3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NC(=S)N1N=Cc1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15-14(13-9-5-2-6-10-13)18-16(21)19(15)17-11-12-7-3-1-4-8-12/h1-11,14H,(H,18,21)
InChIKeyUOTSYSRAEHKINS-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.48
Rot. Bonds3

About 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one

3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 91945300) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID91945300
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(c2ccccc2)NC(=S)N1N=Cc1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15-14(13-9-5-2-6-10-13)18-16(21)19(15)17-11-12-7-3-1-4-8-12/h1-11,14H,(H,18,21)
InChIKeyUOTSYSRAEHKINS-UHFFFAOYSA-N
XLogP2.48
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(benzylideneamino)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 3100456
3-hydroxy-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 88502336
(2S)-3-(benzylideneamino)-2-phenyl-1,3-thiazolidin-4-one
CID 805397
(2S)-3-[(Z)-benzylideneamino]-2-phenyl-1-propan-2-ylimidazolidin-4-one
CID 40531961
4-[(E)-benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 5469638
(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673695
(1R,2S,6R,7R)-4-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 136829042
(1R,2R,6R,7R)-4-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 136820333
(1S,2R,6R,7S)-4-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 136854313
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one (CID 91945300) is 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(c2ccccc2)NC(=S)N1N=Cc1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is UOTSYSRAEHKINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15-14(13-9-5-2-6-10-13)18-16(21)19(15)17-11-12-7-3-1-4-8-12/h1-11,14H,(H,18,21).
What are the key properties of 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one?
3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 295.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-5-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 91945300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).