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

C21H14N2O7 — CID 5467661

IUPAC(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2\NC(=O)N(/C=C3\C(=O)Oc4ccccc4C3=O)C2=O)ccc1O
InChIInChI=1S/C21H14N2O7/c1-29-17-9-11(6-7-15(17)24)8-14-19(26)23(21(28)22-14)10-13-18(25)12-4-2-3-5-16(12)30-20(13)27/h2-10,24H,1H3,(H,22,28)/b13-10-,14-8-
InChIKeyBYBRECSTMAPGQU-RRSUZHDMSA-N
MW406.35 g/mol
LogP1.98
Rot. Bonds3

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

(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 5467661) has the molecular formula C21H14N2O7 and a molecular weight of 406.35 g/mol. Its IUPAC name is (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID5467661
Molecular FormulaC21H14N2O7
Molecular Weight406.35 g/mol
Exact Mass406.08
IUPAC Name(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2\NC(=O)N(/C=C3\C(=O)Oc4ccccc4C3=O)C2=O)ccc1O
InChIInChI=1S/C21H14N2O7/c1-29-17-9-11(6-7-15(17)24)8-14-19(26)23(21(28)22-14)10-13-18(25)12-4-2-3-5-16(12)30-20(13)27/h2-10,24H,1H3,(H,22,28)/b13-10-,14-8-
InChIKeyBYBRECSTMAPGQU-RRSUZHDMSA-N
XLogP1.98
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
4-({2-Allyl-6-ethoxy-4-[(1-ethyl-2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid
CID 11839301
(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-((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
3-((4-(3,4-Dimethoxybenzylidene)-5-oxo-2-thioxo-1-imidazolidinyl)methylene)-2H-chromene-2,4(3H)-dione
CID 5467662
3-((4-(2-Methoxybenzylidene)-5-oxo-2-thioxo-1-imidazolidinyl)methylene)-2H-chromene-2,4(3H)-dione
CID 6041762

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 5467661) is (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2\NC(=O)N(/C=C3\C(=O)Oc4ccccc4C3=O)C2=O)ccc1O.
What is the InChIKey of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is BYBRECSTMAPGQU-RRSUZHDMSA-N. The full InChI is InChI=1S/C21H14N2O7/c1-29-17-9-11(6-7-15(17)24)8-14-19(26)23(21(28)22-14)10-13-18(25)12-4-2-3-5-16(12)30-20(13)27/h2-10,24H,1H3,(H,22,28)/b13-10-,14-8-.
What are the key properties of (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 406.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5467661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).