5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione

C21H15F3N6O3 — CID 55860422

About 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione

5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55860422) has the molecular formula C21H15F3N6O3 and a molecular weight of 456.38 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 55860422
• Molecular Formula: C21H15F3N6O3
• Molecular Weight: 456.38 g/mol
• Exact Mass: 456.12
• IUPAC Name: 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
• SMILES: CC1(c2cc3ccccc3o2)NC(=O)N(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1=O
• InChI: InChI=1S/C21H15F3N6O3/c1-20(16-10-12-4-2-3-5-15(12)33-16)18(31)29(19(32)25-20)11-17-26-27-28-30(17)14-8-6-13(7-9-14)21(22,23)24/h2-10H,11H2,1H3,(H,25,32)
• InChIKey: PGVFOVPPVARKEW-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.38
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione (CID 55860422) is 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione is CC1(c2cc3ccccc3o2)NC(=O)N(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1=O.

What is the InChIKey of 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is PGVFOVPPVARKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O3/c1-20(16-10-12-4-2-3-5-15(12)33-16)18(31)29(19(32)25-20)11-17-26-27-28-30(17)14-8-6-13(7-9-14)21(22,23)24/h2-10H,11H2,1H3,(H,25,32).

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

5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 456.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55860422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).