(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one

C20H19ClN2O2S — CID 126084199

IUPAC(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1C1CCCCC1
InChIInChI=1S/C20H19ClN2O2S/c21-14-8-6-13(7-9-14)18-11-10-16(25-18)12-17-19(24)23(20(26)22-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,26)/b17-12-
InChIKeyGAGIFNYWDCMRBS-ATVHPVEESA-N
MW386.90 g/mol
LogP4.99
Rot. Bonds3

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

(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 126084199) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
PubChem CID126084199
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1C1CCCCC1
InChIInChI=1S/C20H19ClN2O2S/c21-14-8-6-13(7-9-14)18-11-10-16(25-18)12-17-19(24)23(20(26)22-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,26)/b17-12-
InChIKeyGAGIFNYWDCMRBS-ATVHPVEESA-N
XLogP4.99
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.99
H-Bond Donors ≤ 51
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

(5Z)-3-cyclohexyl-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 26496350
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 4287034
(5E)-3-cyclohexyl-5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547787
(5E)-3-cyclohexyl-5-[[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547771
(5E)-5-[[5-[(3-bromophenoxy)methyl]furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 19547756
(5E)-5-[[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylidene]-3-cyclopropyl-2-sulfanylideneimidazolidin-4-one
CID 19548701
(5E)-1-cyclohexyl-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126167577
(5Z)-3-cyclohexyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126089299
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclopentyl-1,3-thiazolidine-2-thione
CID 123952076
(5E)-3-cyclohexyl-5-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547779
(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6036943
(5E)-3-cyclooctyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87453044

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one (CID 126084199) is (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1C1CCCCC1.
What is the InChIKey of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GAGIFNYWDCMRBS-ATVHPVEESA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-14-8-6-13(7-9-14)18-11-10-16(25-18)12-17-19(24)23(20(26)22-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,26)/b17-12-.
What are the key properties of (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 386.90 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 126084199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).