2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide

C25H28F3N5O4 — CID 11498263

About 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide

2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 11498263) has the molecular formula C25H28F3N5O4 and a molecular weight of 519.52 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 11498263
• Molecular Formula: C25H28F3N5O4
• Molecular Weight: 519.52 g/mol
• Exact Mass: 519.21
• IUPAC Name: 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide
• SMILES: CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNC3CCCC3)c2)C(=O)N1Cc1ccncc1
• InChI: InChI=1S/C25H28F3N5O4/c1-24(2)22(35)33(23(36)32(24)15-16-9-11-29-12-10-16)18-7-8-20(37-25(26,27)28)19(13-18)31-21(34)14-30-17-5-3-4-6-17/h7-13,17,30H,3-6,14-15H2,1-2H3,(H,31,34)
• InChIKey: NYWIJFQYBZAPQR-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.52
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
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 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide (CID 11498263) is 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide is CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNC3CCCC3)c2)C(=O)N1Cc1ccncc1.

What is the InChIKey of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is NYWIJFQYBZAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O4/c1-24(2)22(35)33(23(36)32(24)15-16-9-11-29-12-10-16)18-7-8-20(37-25(26,27)28)19(13-18)31-21(34)14-30-17-5-3-4-6-17/h7-13,17,30H,3-6,14-15H2,1-2H3,(H,31,34).

What are the key properties of 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide?

2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 519.52 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopentylamino)-N-[5-[4,4-dimethyl-2,5-dioxo-3-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 11498263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).