3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione

C12H14N2O3 — CID 3021842

IUPAC3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCO)C1=O
InChIInChI=1S/C12H14N2O3/c1-12(9-5-3-2-4-6-9)10(16)14(7-8-15)11(17)13-12/h2-6,15H,7-8H2,1H3,(H,13,17)
InChIKeyNBLRSIWFFOXXEW-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.45
Rot. Bonds3

About 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione

3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 3021842) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID3021842
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CCO)C1=O
InChIInChI=1S/C12H14N2O3/c1-12(9-5-3-2-4-6-9)10(16)14(7-8-15)11(17)13-12/h2-6,15H,7-8H2,1H3,(H,13,17)
InChIKeyNBLRSIWFFOXXEW-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione (CID 3021842) is 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(CCO)C1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is NBLRSIWFFOXXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(9-5-3-2-4-6-9)10(16)14(7-8-15)11(17)13-12/h2-6,15H,7-8H2,1H3,(H,13,17).
What are the key properties of 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione?
3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 3021842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).