2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C26H26F3N5O2 — CID 25221093

About 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25221093) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 25221093
• Molecular Formula: C26H26F3N5O2
• Molecular Weight: 497.52 g/mol
• Exact Mass: 497.20
• IUPAC Name: 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1nccn1-c1ccc(N2CC3(CCCC3)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1
• InChI: InChI=1S/C26H26F3N5O2/c1-18-30-13-14-32(18)21-7-9-22(10-8-21)33-17-25(11-2-3-12-25)34(24(33)36)16-23(35)31-20-6-4-5-19(15-20)26(27,28)29/h4-10,13-15H,2-3,11-12,16-17H2,1H3,(H,31,35)
• InChIKey: IJUFEFAGURWOGO-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.52
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 25221093) is 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1nccn1-c1ccc(N2CC3(CCCC3)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1.

What is the InChIKey of 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is IJUFEFAGURWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c1-18-30-13-14-32(18)21-7-9-22(10-8-21)33-17-25(11-2-3-12-25)34(24(33)36)16-23(35)31-20-6-4-5-19(15-20)26(27,28)29/h4-10,13-15H,2-3,11-12,16-17H2,1H3,(H,31,35).

What are the key properties of 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 497.52 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25221093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).