5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione

C17H21F3N2O2 — CID 119040565

IUPAC5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione
SMILESCC(C)(C)C1NC(=O)N(CCCc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H21F3N2O2/c1-16(2,3)13-14(23)22(15(24)21-13)10-4-5-11-6-8-12(9-7-11)17(18,19)20/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyBFXGODPFLYHTCI-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.60
Rot. Bonds4

About 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione

5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione (PubChem CID 119040565) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione
PubChem CID119040565
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione
SMILESCC(C)(C)C1NC(=O)N(CCCc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H21F3N2O2/c1-16(2,3)13-14(23)22(15(24)21-13)10-4-5-11-6-8-12(9-7-11)17(18,19)20/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyBFXGODPFLYHTCI-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione (CID 119040565) is 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione is CC(C)(C)C1NC(=O)N(CCCc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione?
The InChIKey is BFXGODPFLYHTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-16(2,3)13-14(23)22(15(24)21-13)10-4-5-11-6-8-12(9-7-11)17(18,19)20/h6-9,13H,4-5,10H2,1-3H3,(H,21,24).
What are the key properties of 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione?
5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione has a molecular weight of 342.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[3-[4-(trifluoromethyl)phenyl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 119040565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).