1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one

C21H16N2OS — CID 5379256

IUPAC1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2OS/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23(20(25)22-19)18-14-8-3-9-15-18/h1-15H,(H,22,24,25)
InChIKeyLVUCSUPMRVDTSL-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.85
Rot. Bonds3

About 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one

1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5379256) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5379256
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)N(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2OS/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23(20(25)22-19)18-14-8-3-9-15-18/h1-15H,(H,22,24,25)
InChIKeyLVUCSUPMRVDTSL-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-sulfanylidene-5,5-bis(trifluoromethyl)imidazolidin-4-one
CID 176507284
(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
CID 102253073
1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
CID 165357462
5-phenyl-2-sulfanylidene-1,3-diazabicyclo[3.2.1]octane-4,6,8-trione
CID 4556265
2-[3-(4-chlorophenyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetic acid
CID 21155109
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
CID 12654053
1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
1,5-diphenyl-5-(propan-2-ylamino)-1,3-diazinane-2,4,6-trione
CID 11121265
2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one
CID 606765
5-methoxy-5-methyl-1-phenylimidazolidine-2-thione
CID 21185362
2-(2,4-dioxo-5,5-diphenylimidazolidin-1-yl)acetohydrazide
CID 71597386
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297

Frequently Asked Questions

What is the IUPAC name of 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one (CID 5379256) is 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)N(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is LVUCSUPMRVDTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23(20(25)22-19)18-14-8-3-9-15-18/h1-15H,(H,22,24,25).
What are the key properties of 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one?
1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 344.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5379256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).