1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C15H17F3N2O3 — CID 143036897

IUPAC1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CCO)C(C)(C)C2=O)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-4-5-10(8-11(9)15(16,17)18)20-12(22)14(2,3)19(6-7-21)13(20)23/h4-5,8,21H,6-7H2,1-3H3
InChIKeySCEYOYNSQNCZOI-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.55
Rot. Bonds3

About 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 143036897) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID143036897
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CCO)C(C)(C)C2=O)cc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O3/c1-9-4-5-10(8-11(9)15(16,17)18)20-12(22)14(2,3)19(6-7-21)13(20)23/h4-5,8,21H,6-7H2,1-3H3
InChIKeySCEYOYNSQNCZOI-UHFFFAOYSA-N
XLogP2.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
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 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 143036897) is 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CCO)C(C)(C)C2=O)cc1C(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is SCEYOYNSQNCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-9-4-5-10(8-11(9)15(16,17)18)20-12(22)14(2,3)19(6-7-21)13(20)23/h4-5,8,21H,6-7H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 330.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5,5-dimethyl-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143036897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).