(3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione

C20H12N2O4S — CID 5467817

IUPAC(3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)/C(=C/c2ccccc2)NC1=S
InChIInChI=1S/C20H12N2O4S/c23-17-13-8-4-5-9-16(13)26-19(25)14(17)11-22-18(24)15(21-20(22)27)10-12-6-2-1-3-7-12/h1-11H,(H,21,27)/b14-11-,15-10-
InChIKeyLAUYHDXDBVCSSV-BOSGCFSHSA-N
MW376.39 g/mol
LogP2.43
Rot. Bonds2

About (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione

(3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione (PubChem CID 5467817) has the molecular formula C20H12N2O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
PubChem CID5467817
Molecular FormulaC20H12N2O4S
Molecular Weight376.39 g/mol
Exact Mass376.05
IUPAC Name(3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)/C(=C/c2ccccc2)NC1=S
InChIInChI=1S/C20H12N2O4S/c23-17-13-8-4-5-9-16(13)26-19(25)14(17)11-22-18(24)15(21-20(22)27)10-12-6-2-1-3-7-12/h1-11H,(H,21,27)/b14-11-,15-10-
InChIKeyLAUYHDXDBVCSSV-BOSGCFSHSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5459242
(5Z)-3-[(E)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5771709
(3Z)-3-{[(4Z)-4-(4-ethoxybenzylidene)-5-oxo-2-thioxo-1-imidazolidinyl]methylene}-2H-chromene-2,4(3H)-dione
CID 5467647
(5Z)-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylene]imidazolidine-2,4-dione
CID 6477387
(5E)-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-5-[(2-hydroxyphenyl)methylene]imidazolidine-2,4-dione
CID 6477391
(3Z)-3-[[(4Z)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
CID 5467648
3-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-5-(4-hydroxy-3-methoxybenzylidene)-2,4-imidazolidinedione
CID 5467661
N-(4-((1-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-5-oxo-2-thioxo-4-imidazolidinylidene)methyl)phenyl)acetamide
CID 6477394
(3Z)-3-[[(4E)-4-[(Z)-2-methyl-3-phenylprop-2-enylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
CID 54608213
(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6270268
(5Z)-5-[(2-bromophenyl)methylidene]-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]imidazolidine-2,4-dione
CID 5467853
(3Z)-3-[(5-oxo-2-thioxo-imidazolidin-1-yl)methylene]chromane-2,4-dione
CID 3004527

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione (CID 5467817) is (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)/C(=C/c2ccccc2)NC1=S.
What is the InChIKey of (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione?
The InChIKey is LAUYHDXDBVCSSV-BOSGCFSHSA-N. The full InChI is InChI=1S/C20H12N2O4S/c23-17-13-8-4-5-9-16(13)26-19(25)14(17)11-22-18(24)15(21-20(22)27)10-12-6-2-1-3-7-12/h1-11H,(H,21,27)/b14-11-,15-10-.
What are the key properties of (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione?
(3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione has a molecular weight of 376.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[(4Z)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione is sourced from PubChem (CID 5467817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).