5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C23H19F3N4O5 — CID 75171635

About 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 75171635) has the molecular formula C23H19F3N4O5 and a molecular weight of 488.42 g/mol. Its IUPAC name is 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 75171635
• Molecular Formula: C23H19F3N4O5
• Molecular Weight: 488.42 g/mol
• Exact Mass: 488.13
• IUPAC Name: 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4cc(C(N)C(F)(F)F)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H19F3N4O5/c1-34-14-4-2-12-9-30(19(31)15(12)8-14)10-22(20(32)28-21(33)29-22)17-7-13-6-11(3-5-16(13)35-17)18(27)23(24,25)26/h2-8,18H,9-10,27H2,1H3,(H2,28,29,32,33)
• InChIKey: FMQYLQTUTXYPNQ-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 126.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.42
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
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-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 75171635) is 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4cc(C(N)C(F)(F)F)ccc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is FMQYLQTUTXYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O5/c1-34-14-4-2-12-9-30(19(31)15(12)8-14)10-22(20(32)28-21(33)29-22)17-7-13-6-11(3-5-16(13)35-17)18(27)23(24,25)26/h2-8,18H,9-10,27H2,1H3,(H2,28,29,32,33).

What are the key properties of 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 488.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(1-amino-2,2,2-trifluoroethyl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 75171635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).