5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C17H13ClN2O2S — CID 950101

IUPAC5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)NC1=S
InChIInChI=1S/C17H13ClN2O2S/c1-2-9-20-16(21)14(19-17(20)23)10-11-7-8-15(22-11)12-5-3-4-6-13(12)18/h2-8,10H,1,9H2,(H,19,23)
InChIKeyZFFJYWRVGNLCCW-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.84
Rot. Bonds4

About 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 950101) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID950101
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)NC1=S
InChIInChI=1S/C17H13ClN2O2S/c1-2-9-20-16(21)14(19-17(20)23)10-11-7-8-15(22-11)12-5-3-4-6-13(12)18/h2-8,10H,1,9H2,(H,19,23)
InChIKeyZFFJYWRVGNLCCW-UHFFFAOYSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 5425009
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 73335813
(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2248572
methyl 2-[(4Z)-4-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 126219884
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2170125
methyl 2-[5-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
CID 126144409
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 5411600
(5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5431381
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-2-[(2-chloro-3-pyridinyl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18843393
5-[(2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 4076405
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
CID 19547046
5-[(5-iodofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1360047

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 950101) is 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)NC1=S.
What is the InChIKey of 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZFFJYWRVGNLCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-2-9-20-16(21)14(19-17(20)23)10-11-7-8-15(22-11)12-5-3-4-6-13(12)18/h2-8,10H,1,9H2,(H,19,23).
What are the key properties of 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 344.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 950101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).