(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C13H10Cl2N2O3 — CID 126146104

IUPAC(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O
InChIInChI=1S/C13H10Cl2N2O3/c1-2-3-17-12(19)10(16-13(17)20)5-7-4-8(14)6-9(15)11(7)18/h2,4-6,18H,1,3H2,(H,16,20)/b10-5+
InChIKeyOTWGHLJITRJAOL-BJMVGYQFSA-N
MW313.14 g/mol
LogP2.78
Rot. Bonds3

About (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126146104) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126146104
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O
InChIInChI=1S/C13H10Cl2N2O3/c1-2-3-17-12(19)10(16-13(17)20)5-7-4-8(14)6-9(15)11(7)18/h2,4-6,18H,1,3H2,(H,16,20)/b10-5+
InChIKeyOTWGHLJITRJAOL-BJMVGYQFSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 955524
(5E)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148765
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126246821
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11391642
(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126146955
(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126261275
(5E)-5-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126131187
ethyl 2-[2-chloro-4-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetate
CID 126130724
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 124680442
(5E)-5-[[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126133083
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 21230388

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126146104) is (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O.
What is the InChIKey of (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is OTWGHLJITRJAOL-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-2-3-17-12(19)10(16-13(17)20)5-7-4-8(14)6-9(15)11(7)18/h2,4-6,18H,1,3H2,(H,16,20)/b10-5+.
What are the key properties of (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 313.14 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126146104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).