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

C19H17F3N4O4 — CID 174172984

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

(5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (PubChem CID 174172984) has the molecular formula C19H17F3N4O4 and a molecular weight of 422.36 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
• PubChem CID: 174172984
• Molecular Formula: C19H17F3N4O4
• Molecular Weight: 422.36 g/mol
• Exact Mass: 422.12
• IUPAC Name: (5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione
• SMILES: CC[C@H]1NC(=O)N(c2cncnc2Oc2ccc3c(c2)C(C)(C(F)(F)F)OC3)C1=O
• InChI: InChI=1S/C19H17F3N4O4/c1-3-13-16(27)26(17(28)25-13)14-7-23-9-24-15(14)30-11-5-4-10-8-29-18(2,12(10)6-11)19(20,21)22/h4-7,9,13H,3,8H2,1-2H3,(H,25,28)/t13-,18?/m1/s1
• InChIKey: DRZANLXKAHXGBT-YJJYDOSJSA-N
• XLogP: 3.41
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• 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 (5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione (CID 174172984) is (5R)-5-ethyl-3-[4-[[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-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is CC[C@H]1NC(=O)N(c2cncnc2Oc2ccc3c(c2)C(C)(C(F)(F)F)OC3)C1=O.

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

The InChIKey is DRZANLXKAHXGBT-YJJYDOSJSA-N. The full InChI is InChI=1S/C19H17F3N4O4/c1-3-13-16(27)26(17(28)25-13)14-7-23-9-24-15(14)30-11-5-4-10-8-29-18(2,12(10)6-11)19(20,21)22/h4-7,9,13H,3,8H2,1-2H3,(H,25,28)/t13-,18?/m1/s1.

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

(5R)-5-ethyl-3-[4-[[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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-ethyl-3-[4-[[3-methyl-3-(trifluoromethyl)-1H-2-benzofuran-5-yl]oxy]pyrimidin-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 174172984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).