(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione

C15H18N2O5 — CID 5416199

IUPAC(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C\c2c(OC)cc(OC)cc2OC)C1=O
InChIInChI=1S/C15H18N2O5/c1-5-17-14(18)11(16-15(17)19)8-10-12(21-3)6-9(20-2)7-13(10)22-4/h6-8H,5H2,1-4H3,(H,16,19)/b11-8-
InChIKeyLVFSPIHMACSUAG-FLIBITNWSA-N
MW306.32 g/mol
LogP1.62
Rot. Bonds5

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

(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 5416199) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID5416199
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C\c2c(OC)cc(OC)cc2OC)C1=O
InChIInChI=1S/C15H18N2O5/c1-5-17-14(18)11(16-15(17)19)8-10-12(21-3)6-9(20-2)7-13(10)22-4/h6-8H,5H2,1-4H3,(H,16,19)/b11-8-
InChIKeyLVFSPIHMACSUAG-FLIBITNWSA-N
XLogP1.62
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 5416199) is (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione is CCN1C(=O)N/C(=C\c2c(OC)cc(OC)cc2OC)C1=O.
What is the InChIKey of (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is LVFSPIHMACSUAG-FLIBITNWSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-5-17-14(18)11(16-15(17)19)8-10-12(21-3)6-9(20-2)7-13(10)22-4/h6-8H,5H2,1-4H3,(H,16,19)/b11-8-.
What are the key properties of (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(2,4,6-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5416199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).