5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione

C14H17N3O2 — CID 155292889

IUPAC5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCCc1ccc(C=NN2C(=O)NC(CC)C2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-10-5-7-11(8-6-10)9-15-17-13(18)12(4-2)16-14(17)19/h5-9,12H,3-4H2,1-2H3,(H,16,19)
InChIKeyKPFGNTUEIPDFMM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.91
Rot. Bonds4

About 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione

5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 155292889) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID155292889
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCCc1ccc(C=NN2C(=O)NC(CC)C2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-10-5-7-11(8-6-10)9-15-17-13(18)12(4-2)16-14(17)19/h5-9,12H,3-4H2,1-2H3,(H,16,19)
InChIKeyKPFGNTUEIPDFMM-UHFFFAOYSA-N
XLogP1.91
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione (CID 155292889) is 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione is CCc1ccc(C=NN2C(=O)NC(CC)C2=O)cc1.
What is the InChIKey of 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is KPFGNTUEIPDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-10-5-7-11(8-6-10)9-15-17-13(18)12(4-2)16-14(17)19/h5-9,12H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione?
5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-ethylphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 155292889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).