5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

C11H12N2O2S — CID 132520379

IUPAC5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCOC1(C)NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O2S/c1-11(15-2)9(14)13(10(16)12-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,16)
InChIKeyFCVZJIDCFXJIFC-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.27
Rot. Bonds2

About 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 132520379) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID132520379
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCOC1(C)NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O2S/c1-11(15-2)9(14)13(10(16)12-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,16)
InChIKeyFCVZJIDCFXJIFC-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-5-methyl-1-phenylimidazolidine-2-thione
CID 21185362
(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
(5R)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853800
5-(4-benzylphenyl)-3-(4-chlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 87951519
(5S)-5-ethyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7027407
5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
(3aR,6R,7S,7aR)-2,2-dimethyl-3'-phenyl-7-phenylmethoxy-2'-sulfanylidenespiro[3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,5'-imidazolidine]-4'-one
CID 101386371
5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045960
3-(2-hydroxyphenyl)-5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 121224655
1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
CID 165357462
5-[4-(4-hydroxyphenoxy)phenyl]-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 87951826
3,3-dimethyl-1-phenylindole-2-thione
CID 14113261

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 132520379) is 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is COC1(C)NC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is FCVZJIDCFXJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(15-2)9(14)13(10(16)12-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,16).
What are the key properties of 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one?
5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 132520379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).