N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide

C23H24F3N5O3S — CID 68914184

About N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 68914184) has the molecular formula C23H24F3N5O3S and a molecular weight of 507.54 g/mol. Its IUPAC name is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
• PubChem CID: 68914184
• Molecular Formula: C23H24F3N5O3S
• Molecular Weight: 507.54 g/mol
• Exact Mass: 507.16
• IUPAC Name: N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide
• SMILES: CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(=O)N2CCCC2)c1
• InChI: InChI=1S/C23H24F3N5O3S/c1-22(2)19(32)31(16-5-7-17(8-6-16)35-23(24,25)26)21(34)30(22)14-15-9-10-27-18(13-15)28-20(33)29-11-3-4-12-29/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28,33)
• InChIKey: OIFAVRBPPJRVMS-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.54
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide?

The IUPAC name of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide (CID 68914184) is N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide?

The canonical SMILES for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide is CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(NC(=O)N2CCCC2)c1.

What is the InChIKey of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide?

The InChIKey is OIFAVRBPPJRVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3S/c1-22(2)19(32)31(16-5-7-17(8-6-16)35-23(24,25)26)21(34)30(22)14-15-9-10-27-18(13-15)28-20(33)29-11-3-4-12-29/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28,33).

What are the key properties of N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide?

N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 507.54 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 68914184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).