5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C13H14F3N3O3 — CID 176507290

IUPAC5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)C1(NCCO)C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-18-11(22)19(9-5-3-2-4-6-9)10(21)12(18,13(14,15)16)17-7-8-20/h2-6,17,20H,7-8H2,1H3
InChIKeyAPCUBGFUPIUBSX-UHFFFAOYSA-N
MW317.27 g/mol
LogP0.93
Rot. Bonds4

About 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione

5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 176507290) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID176507290
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2ccccc2)C(=O)C1(NCCO)C(F)(F)F
InChIInChI=1S/C13H14F3N3O3/c1-18-11(22)19(9-5-3-2-4-6-9)10(21)12(18,13(14,15)16)17-7-8-20/h2-6,17,20H,7-8H2,1H3
InChIKeyAPCUBGFUPIUBSX-UHFFFAOYSA-N
XLogP0.93
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 176507290) is 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CN1C(=O)N(c2ccccc2)C(=O)C1(NCCO)C(F)(F)F.
What is the InChIKey of 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is APCUBGFUPIUBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-18-11(22)19(9-5-3-2-4-6-9)10(21)12(18,13(14,15)16)17-7-8-20/h2-6,17,20H,7-8H2,1H3.
What are the key properties of 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 317.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-1-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 176507290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).