(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione

C15H18N2O2 — CID 126256878

IUPAC(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C15H18N2O2/c1-5-17-14(18)13(16-15(17)19)8-12-10(3)6-9(2)7-11(12)4/h6-8H,5H2,1-4H3,(H,16,19)/b13-8+
InChIKeyXYIWUTAJYJRDQR-MDWZMJQESA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds2

About (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126256878) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126256878
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C15H18N2O2/c1-5-17-14(18)13(16-15(17)19)8-12-10(3)6-9(2)7-11(12)4/h6-8H,5H2,1-4H3,(H,16,19)/b13-8+
InChIKeyXYIWUTAJYJRDQR-MDWZMJQESA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 7323600
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5416199
(5Z)-3-ethyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5411335
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126076971
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]imidazolidine-2,4-dione
CID 126248673
2-[(4E)-2,5-dioxo-4-[(2,4,6-trimethylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126238859
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126236781
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione (CID 126256878) is (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2c(C)cc(C)cc2C)C1=O.
What is the InChIKey of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is XYIWUTAJYJRDQR-MDWZMJQESA-N. The full InChI is InChI=1S/C15H18N2O2/c1-5-17-14(18)13(16-15(17)19)8-12-10(3)6-9(2)7-11(12)4/h6-8H,5H2,1-4H3,(H,16,19)/b13-8+.
What are the key properties of (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126256878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).