3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

C13H16N2O2 — CID 71169888

IUPAC3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C13H16N2O2/c1-3-15-12(16)11(14-13(15)17)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,14,17)
InChIKeyWJFHRLAOYDSJOC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.48
Rot. Bonds3

About 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 71169888) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID71169888
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCCN1C(=O)NC(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C13H16N2O2/c1-3-15-12(16)11(14-13(15)17)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,14,17)
InChIKeyWJFHRLAOYDSJOC-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4130906
3-butyl-5-[(3,4-dimethylphenyl)methyl]imidazolidine-2,4-dione
CID 12790729
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
3-ethyl-1-[(3-methylphenyl)methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 78411686
1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946982
3-butyl-5-[(3,4-dihydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 61070063
5-benzyl-3-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 4883549
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
CID 75483628
(5S)-5-benzyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2102714
(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 97251601
2-[(3-methylphenyl)methyl]morpholin-3-one
CID 154999733

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione (CID 71169888) is 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is CCN1C(=O)NC(Cc2cccc(C)c2)C1=O.
What is the InChIKey of 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is WJFHRLAOYDSJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15-12(16)11(14-13(15)17)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione?
3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71169888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).