(5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione

C14H14N2O3 — CID 702306

IUPAC(5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCc1ccc(/C=C2/C(=O)NC(=O)N2C(C)=O)cc1
InChIInChI=1S/C14H14N2O3/c1-3-10-4-6-11(7-5-10)8-12-13(18)15-14(19)16(12)9(2)17/h4-8H,3H2,1-2H3,(H,15,18,19)/b12-8-
InChIKeyIMDSRGDXQFPTIH-WQLSENKSSA-N
MW258.28 g/mol
LogP1.69
Rot. Bonds2

About (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 702306) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID702306
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCc1ccc(/C=C2/C(=O)NC(=O)N2C(C)=O)cc1
InChIInChI=1S/C14H14N2O3/c1-3-10-4-6-11(7-5-10)8-12-13(18)15-14(19)16(12)9(2)17/h4-8H,3H2,1-2H3,(H,15,18,19)/b12-8-
InChIKeyIMDSRGDXQFPTIH-WQLSENKSSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-5-((E)-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 1712589
5-(Phenylmethylene)-2-thioxo-4-imidazolidinone
CID 687302
(5Z)-5-(Phenylmethylene)-2,4-imidazolidinedione
CID 5706042
5-Benzylidenehydantoin
CID 97857
5-Benzylidene-2-thiohydantoin
CID 1396823
5-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-imidazolidine-2,4-dione
CID 1551144
5-(4-Methylbenzylidene)-2-thioxo-4-imidazolidinone
CID 5469194
(Z)-5-((E)-2-methyl-3-phenylallylidene)-2-thioxoimidazolidin-4-one
CID 6383873
5-(4-Isopropylbenzylidene)-2,4-imidazolidinedione
CID 697473
5-(4-Methylbenzylidene)imidazolidine-2,4-dione
CID 697030
(Z)-5-(4-Methylbenzylidene)imidazolidine-2,4-dione
CID 697033
5-Phenylmethylenehydantoin
CID 843551

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione (CID 702306) is (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione is CCc1ccc(/C=C2/C(=O)NC(=O)N2C(C)=O)cc1.
What is the InChIKey of (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is IMDSRGDXQFPTIH-WQLSENKSSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-10-4-6-11(7-5-10)8-12-13(18)15-14(19)16(12)9(2)17/h4-8H,3H2,1-2H3,(H,15,18,19)/b12-8-.
What are the key properties of (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-acetyl-5-[(4-ethylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 702306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).