3-benzyl-5,5-diethylimidazolidine-2,4-dione

C14H18N2O2 — CID 7181081

IUPAC3-benzyl-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-14(4-2)12(17)16(13(18)15-14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,18)
InChIKeyKBIRLWGLAPABBZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.30
Rot. Bonds4

About 3-benzyl-5,5-diethylimidazolidine-2,4-dione

3-benzyl-5,5-diethylimidazolidine-2,4-dione (PubChem CID 7181081) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-benzyl-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5,5-diethylimidazolidine-2,4-dione
PubChem CID7181081
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-benzyl-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-14(4-2)12(17)16(13(18)15-14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,18)
InChIKeyKBIRLWGLAPABBZ-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.30
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

5,5-diethyl-3-[(2R)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571809
5,5-diethyl-3-[(2S)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571808
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
N-benzhydryl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2425467
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 9437310
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5,5-diethylimidazolidine-2,4-dione (CID 7181081) is 3-benzyl-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is KBIRLWGLAPABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-14(4-2)12(17)16(13(18)15-14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,18).
What are the key properties of 3-benzyl-5,5-diethylimidazolidine-2,4-dione?
3-benzyl-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 7181081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).