1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

C24H28FN5O3 — CID 71252145

About 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 71252145) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
• PubChem CID: 71252145
• Molecular Formula: C24H28FN5O3
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.22
• IUPAC Name: 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
• SMILES: CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)c(F)c2)C1=O
• InChI: InChI=1S/C24H28FN5O3/c1-15-13-16(2)22(26-17(15)3)27-7-9-28(10-8-27)23(32)20-6-5-19(14-21(20)25)30-12-11-29(18(4)31)24(30)33/h5-6,13-14H,7-12H2,1-4H3
• InChIKey: XRTDQWIHUGKZJL-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 77.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The IUPAC name of 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 71252145) is 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The canonical SMILES for 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is CC(=O)N1CCN(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)c(F)c2)C1=O.

What is the InChIKey of 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The InChIKey is XRTDQWIHUGKZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-15-13-16(2)22(26-17(15)3)27-7-9-28(10-8-27)23(32)20-6-5-19(14-21(20)25)30-12-11-29(18(4)31)24(30)33/h5-6,13-14H,7-12H2,1-4H3.

What are the key properties of 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 453.52 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 71252145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).