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

C13H13F3N2O3 — CID 12701725

IUPAC3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2cccc(C(F)(F)F)c2)C(=O)N1CCO
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)9-3-1-2-8(6-9)7-10-11(20)18(4-5-19)12(21)17-10/h1-3,6,10,19H,4-5,7H2,(H,17,21)
InChIKeyZMSCPLQOZQSZDI-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.16
Rot. Bonds4

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

3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 12701725) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID12701725
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2cccc(C(F)(F)F)c2)C(=O)N1CCO
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)9-3-1-2-8(6-9)7-10-11(20)18(4-5-19)12(21)17-10/h1-3,6,10,19H,4-5,7H2,(H,17,21)
InChIKeyZMSCPLQOZQSZDI-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.16
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-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 12701725) is 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is O=C1NC(Cc2cccc(C(F)(F)F)c2)C(=O)N1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is ZMSCPLQOZQSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)9-3-1-2-8(6-9)7-10-11(20)18(4-5-19)12(21)17-10/h1-3,6,10,19H,4-5,7H2,(H,17,21).
What are the key properties of 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 302.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 12701725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).