(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione

C22H16N2O6 — CID 6477387

IUPAC(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1ccccc1/C=C1\NC(=O)N(/C=C2\C(=O)Oc3ccccc3C2=O)C1=O
InChIInChI=1S/C22H16N2O6/c1-2-29-17-9-5-3-7-13(17)11-16-20(26)24(22(28)23-16)12-15-19(25)14-8-4-6-10-18(14)30-21(15)27/h3-12H,2H2,1H3,(H,23,28)/b15-12-,16-11-
InChIKeyHXCFWRDKNVJZBL-IDLVQZBLSA-N
MW404.38 g/mol
LogP2.66
Rot. Bonds4

About (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6477387) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6477387
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC Name(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1ccccc1/C=C1\NC(=O)N(/C=C2\C(=O)Oc3ccccc3C2=O)C1=O
InChIInChI=1S/C22H16N2O6/c1-2-29-17-9-5-3-7-13(17)11-16-20(26)24(22(28)23-16)12-15-19(25)14-8-4-6-10-18(14)30-21(15)27/h3-12H,2H2,1H3,(H,23,28)/b15-12-,16-11-
InChIKeyHXCFWRDKNVJZBL-IDLVQZBLSA-N
XLogP2.66
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', '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
(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
3-((4-Benzylidene-5-oxo-2-thioxo-1-imidazolidinyl)methylene)-2H-chromene-2,4(3H)-dione
CID 5467817
(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
3-((4-(3,4-Dimethoxybenzylidene)-5-oxo-2-thioxo-1-imidazolidinyl)methylene)-2H-chromene-2,4(3H)-dione
CID 5467662

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 6477387) is (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione is CCOc1ccccc1/C=C1\NC(=O)N(/C=C2\C(=O)Oc3ccccc3C2=O)C1=O.
What is the InChIKey of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is HXCFWRDKNVJZBL-IDLVQZBLSA-N. The full InChI is InChI=1S/C22H16N2O6/c1-2-29-17-9-5-3-7-13(17)11-16-20(26)24(22(28)23-16)12-15-19(25)14-8-4-6-10-18(14)30-21(15)27/h3-12H,2H2,1H3,(H,23,28)/b15-12-,16-11-.
What are the key properties of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 404.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6477387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).