5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione

C18H15F3N4O4 — CID 71113152

IUPAC5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C18H15F3N4O4/c1-17(2)14(26)25(16(27)24-17)10-6-22-15(23-7-10)29-11-4-3-9-8-28-13(12(9)5-11)18(19,20)21/h3-7,13H,8H2,1-2H3,(H,24,27)
InChIKeyJVLHFRFFZBGGJI-UHFFFAOYSA-N
MW408.34 g/mol
LogP3.24
Rot. Bonds3

About 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 71113152) has the molecular formula C18H15F3N4O4 and a molecular weight of 408.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
PubChem CID71113152
Molecular FormulaC18H15F3N4O4
Molecular Weight408.34 g/mol
Exact Mass408.10
IUPAC Name5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)C1=O
InChIInChI=1S/C18H15F3N4O4/c1-17(2)14(26)25(16(27)24-17)10-6-22-15(23-7-10)29-11-4-3-9-8-28-13(12(9)5-11)18(19,20)21/h3-7,13H,8H2,1-2H3,(H,24,27)
InChIKeyJVLHFRFFZBGGJI-UHFFFAOYSA-N
XLogP3.24
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 71113152) is 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
The InChIKey is JVLHFRFFZBGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4/c1-17(2)14(26)25(16(27)24-17)10-6-22-15(23-7-10)29-11-4-3-9-8-28-13(12(9)5-11)18(19,20)21/h3-7,13H,8H2,1-2H3,(H,24,27).
What are the key properties of 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 408.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 71113152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).