5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

C20H14N2O2S — CID 936275

IUPAC5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2ccco2)N(c2ccccc2)C(=S)N1c1ccccc1
InChIInChI=1S/C20H14N2O2S/c23-19-18(14-17-12-7-13-24-17)21(15-8-3-1-4-9-15)20(25)22(19)16-10-5-2-6-11-16/h1-14H
InChIKeyXGMUFEBYWCEAHX-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.46
Rot. Bonds3

About 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one

5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 936275) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID936275
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1C(=Cc2ccco2)N(c2ccccc2)C(=S)N1c1ccccc1
InChIInChI=1S/C20H14N2O2S/c23-19-18(14-17-12-7-13-24-17)21(15-8-3-1-4-9-15)20(25)22(19)16-10-5-2-6-11-16/h1-14H
InChIKeyXGMUFEBYWCEAHX-UHFFFAOYSA-N
XLogP4.46
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
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

5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 173085736
5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50872420
3-(3,5-dimethoxyphenyl)-5-(furan-2-ylmethylidene)-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 71957879
(5Z)-5-(furan-2-ylmethylidene)-1-(2-methoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 126021521
(5Z)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 867946
1,2-bis(4-chlorophenyl)-4-(furan-2-ylmethylidene)pyrazolidine-3,5-dione
CID 127036806
3-benzyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268875
5-(furan-2-ylmethylidene)-1,2,2,3-tetramethyl-1,3-diazinane-4,6-dione
CID 137477472
(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135418631
5-[(4-chlorophenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 898928
(5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2179731
(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191779

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one (CID 936275) is 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is O=C1C(=Cc2ccco2)N(c2ccccc2)C(=S)N1c1ccccc1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XGMUFEBYWCEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-19-18(14-17-12-7-13-24-17)21(15-8-3-1-4-9-15)20(25)22(19)16-10-5-2-6-11-16/h1-14H.
What are the key properties of 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one?
5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 346.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 936275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).