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

C20H19F3N4O4 — CID 71090143

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

(5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 71090143) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
• PubChem CID: 71090143
• Molecular Formula: C20H19F3N4O4
• Molecular Weight: 436.39 g/mol
• Exact Mass: 436.14
• IUPAC Name: (5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
• SMILES: CC[C@@]1(C)NC(=O)N(c2cnc(Oc3ccc4c(c3)C(C)(C(F)(F)F)OC4)nc2)C1=O
• InChI: InChI=1S/C20H19F3N4O4/c1-4-18(2)15(28)27(17(29)26-18)12-8-24-16(25-9-12)31-13-6-5-11-10-30-19(3,14(11)7-13)20(21,22)23/h5-9H,4,10H2,1-3H3,(H,26,29)/t18-,19?/m1/s1
• InChIKey: OWUGDYTUCLRMTK-MRTLOADZSA-N
• XLogP: 3.80
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.39
LogP ≤ 5	3.80
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 (5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 71090143) is (5R)-5-ethyl-5-methyl-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 (5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

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

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

The InChIKey is OWUGDYTUCLRMTK-MRTLOADZSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c1-4-18(2)15(28)27(17(29)26-18)12-8-24-16(25-9-12)31-13-6-5-11-10-30-19(3,14(11)7-13)20(21,22)23/h5-9H,4,10H2,1-3H3,(H,26,29)/t18-,19?/m1/s1.

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

(5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione has a molecular weight of 436.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-ethyl-5-methyl-3-[2-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 71090143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).