5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

C23H28F2N4O2S — CID 45193207

About 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 45193207) has the molecular formula C23H28F2N4O2S and a molecular weight of 462.57 g/mol. Its IUPAC name is 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
• PubChem CID: 45193207
• Molecular Formula: C23H28F2N4O2S
• Molecular Weight: 462.57 g/mol
• Exact Mass: 462.19
• IUPAC Name: 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
• SMILES: CCC1(C2CCN(Cc3ccc(F)c(F)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O
• InChI: InChI=1S/C23H28F2N4O2S/c1-3-23(21(30)29(22(31)27-23)11-8-20-15(2)26-14-32-20)17-6-9-28(10-7-17)13-16-4-5-18(24)19(25)12-16/h4-5,12,14,17H,3,6-11,13H2,1-2H3,(H,27,31)
• InChIKey: WMNXMUAQBSWRHN-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.57
LogP ≤ 5	3.89
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 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 45193207) is 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CCC1(C2CCN(Cc3ccc(F)c(F)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O.

What is the InChIKey of 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

The InChIKey is WMNXMUAQBSWRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2S/c1-3-23(21(30)29(22(31)27-23)11-8-20-15(2)26-14-32-20)17-6-9-28(10-7-17)13-16-4-5-18(24)19(25)12-16/h4-5,12,14,17H,3,6-11,13H2,1-2H3,(H,27,31).

What are the key properties of 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?

5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 462.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45193207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).