5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione

C23H24F3N5O3 — CID 134494960

About 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione

5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 134494960) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 134494960
• Molecular Formula: C23H24F3N5O3
• Molecular Weight: 475.47 g/mol
• Exact Mass: 475.18
• IUPAC Name: 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1cnc(N2CCN(C(=O)c3ccc(C4(C)NC(=O)NC4=O)cc3C(F)(F)F)CC2)c(C)c1
• InChI: InChI=1S/C23H24F3N5O3/c1-13-10-14(2)18(27-12-13)30-6-8-31(9-7-30)19(32)16-5-4-15(11-17(16)23(24,25)26)22(3)20(33)28-21(34)29-22/h4-5,10-12H,6-9H2,1-3H3,(H2,28,29,33,34)
• InChIKey: ZYGJFVQNSKLQFU-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.47
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
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 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione (CID 134494960) is 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione is Cc1cnc(N2CCN(C(=O)c3ccc(C4(C)NC(=O)NC4=O)cc3C(F)(F)F)CC2)c(C)c1.

What is the InChIKey of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is ZYGJFVQNSKLQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-13-10-14(2)18(27-12-13)30-6-8-31(9-7-30)19(32)16-5-4-15(11-17(16)23(24,25)26)22(3)20(33)28-21(34)29-22/h4-5,10-12H,6-9H2,1-3H3,(H2,28,29,33,34).

What are the key properties of 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione?

5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 475.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-(trifluoromethyl)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134494960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).