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

C19H17F3N4O4 — CID 71090034

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

5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 71090034) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
• PubChem CID: 71090034
• Molecular Formula: C19H17F3N4O4
• Molecular Weight: 422.36 g/mol
• Exact Mass: 422.12
• IUPAC Name: 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
• SMILES: CC1(C)NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)C1=O
• InChI: InChI=1S/C19H17F3N4O4/c1-17(2)14(27)26(16(28)25-17)11-7-23-15(24-8-11)30-12-5-4-10-9-29-18(3,13(10)6-12)19(20,21)22/h4-8H,9H2,1-3H3,(H,25,28)
• InChIKey: PFWPHOLELOXFFV-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.36
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 71090034) is 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)C1=O.

What is the InChIKey of 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

The InChIKey is PFWPHOLELOXFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c1-17(2)14(27)26(16(28)25-17)11-7-23-15(24-8-11)30-12-5-4-10-9-29-18(3,13(10)6-12)19(20,21)22/h4-8H,9H2,1-3H3,(H,25,28).

What are the key properties of 5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

5,5-dimethyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 422.36 g/mol, XLogP of 3.41, 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-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 71090034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).