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

C20H12N2O6 — CID 6270268

IUPAC(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)N/C(=C\c2cccc(O)c2)C1=O
InChIInChI=1S/C20H12N2O6/c23-12-5-3-4-11(8-12)9-15-18(25)22(20(27)21-15)10-14-17(24)13-6-1-2-7-16(13)28-19(14)26/h1-10,23H,(H,21,27)/b14-10-,15-9-
InChIKeyPVNOTJNNKRECQD-CEUHLDMKSA-N
MW376.32 g/mol
LogP1.97
Rot. Bonds2

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

(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6270268) has the molecular formula C20H12N2O6 and a molecular weight of 376.32 g/mol. Its IUPAC name is (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6270268
Molecular FormulaC20H12N2O6
Molecular Weight376.32 g/mol
Exact Mass376.07
IUPAC Name(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)N/C(=C\c2cccc(O)c2)C1=O
InChIInChI=1S/C20H12N2O6/c23-12-5-3-4-11(8-12)9-15-18(25)22(20(27)21-15)10-14-17(24)13-6-1-2-7-16(13)28-19(14)26/h1-10,23H,(H,21,27)/b14-10-,15-9-
InChIKeyPVNOTJNNKRECQD-CEUHLDMKSA-N
XLogP1.97
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
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
(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
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)-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-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (CID 6270268) is (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is O=C1Oc2ccccc2C(=O)/C1=C/N1C(=O)N/C(=C\c2cccc(O)c2)C1=O.
What is the InChIKey of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is PVNOTJNNKRECQD-CEUHLDMKSA-N. The full InChI is InChI=1S/C20H12N2O6/c23-12-5-3-4-11(8-12)9-15-18(25)22(20(27)21-15)10-14-17(24)13-6-1-2-7-16(13)28-19(14)26/h1-10,23H,(H,21,27)/b14-10-,15-9-.
What are the key properties of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 376.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 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-[(3-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6270268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).