1-benzyl-5-ethoxyimidazolidine-2,4-dione

C12H14N2O3 — CID 4079622

IUPAC1-benzyl-5-ethoxyimidazolidine-2,4-dione
SMILESCCOC1C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16)
InChIKeyFUQZCDCFSMSNBP-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.10
Rot. Bonds4

About 1-benzyl-5-ethoxyimidazolidine-2,4-dione

1-benzyl-5-ethoxyimidazolidine-2,4-dione (PubChem CID 4079622) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-benzyl-5-ethoxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-ethoxyimidazolidine-2,4-dione
PubChem CID4079622
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-benzyl-5-ethoxyimidazolidine-2,4-dione
SMILESCCOC1C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16)
InChIKeyFUQZCDCFSMSNBP-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Benzylimidazolidine-2,4,5-trione
CID 562619
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
2-(3-Benzyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 1873399
Ethyl 2-[3-(3-methylbenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2765714
Ethyl 2-[3-(2-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2767595
2-[3-(4-Methylbenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetamide
CID 2767614
Ethyl 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 2767604
1-Benzylimidazolidine-2,4-dione
CID 2735485
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8850426
Hydantoin, 3-benzyl-5,5-dimethyl-
CID 141912
3-Benzyl-5-methylimidazolidine-2,4-dione
CID 13109358

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethoxyimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-5-ethoxyimidazolidine-2,4-dione (CID 4079622) is 1-benzyl-5-ethoxyimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-ethoxyimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-ethoxyimidazolidine-2,4-dione is CCOC1C(=O)NC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethoxyimidazolidine-2,4-dione?
The InChIKey is FUQZCDCFSMSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16).
What are the key properties of 1-benzyl-5-ethoxyimidazolidine-2,4-dione?
1-benzyl-5-ethoxyimidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethoxyimidazolidine-2,4-dione is sourced from PubChem (CID 4079622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).