1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one

C24H24F5N5O3 — CID 54325617

About 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one

1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one (PubChem CID 54325617) has the molecular formula C24H24F5N5O3 and a molecular weight of 525.48 g/mol. Its IUPAC name is 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one
• PubChem CID: 54325617
• Molecular Formula: C24H24F5N5O3
• Molecular Weight: 525.48 g/mol
• Exact Mass: 525.18
• IUPAC Name: 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one
• SMILES: C[C@@H](N1CCN(c2ccc(OCC(F)(F)C(F)F)cc2)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1
• InChI: InChI=1S/C24H24F5N5O3/c1-16(23(36,12-32-15-30-14-31-32)17-2-4-18(25)5-3-17)33-10-11-34(22(33)35)19-6-8-20(9-7-19)37-13-24(28,29)21(26)27/h2-9,14-16,21,36H,10-13H2,1H3/t16-,23-/m1/s1
• InChIKey: SURPCEKBJDWNSD-WAIKUNEKSA-N
• XLogP: 3.91
• TPSA: 83.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.48
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one?

The IUPAC name of 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one (CID 54325617) is 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one is C[C@@H](N1CCN(c2ccc(OCC(F)(F)C(F)F)cc2)C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1.

What is the InChIKey of 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one?

The InChIKey is SURPCEKBJDWNSD-WAIKUNEKSA-N. The full InChI is InChI=1S/C24H24F5N5O3/c1-16(23(36,12-32-15-30-14-31-32)17-2-4-18(25)5-3-17)33-10-11-34(22(33)35)19-6-8-20(9-7-19)37-13-24(28,29)21(26)27/h2-9,14-16,21,36H,10-13H2,1H3/t16-,23-/m1/s1.

What are the key properties of 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one?

1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one has a molecular weight of 525.48 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 54325617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).