1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one

C27H32N6O4 — CID 71252650

About 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one

1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one (PubChem CID 71252650) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one
• PubChem CID: 71252650
• Molecular Formula: C27H32N6O4
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.25
• IUPAC Name: 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one
• SMILES: CC(=O)N1CCN(c2cc(N3CCCC3=O)ccc2C(=O)N2CCN(c3ncc(C)cc3C)CC2)C1=O
• InChI: InChI=1S/C27H32N6O4/c1-18-15-19(2)25(28-17-18)29-9-11-30(12-10-29)26(36)22-7-6-21(32-8-4-5-24(32)35)16-23(22)33-14-13-31(20(3)34)27(33)37/h6-7,15-17H,4-5,8-14H2,1-3H3
• InChIKey: JGHNUGSOSXIBBJ-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 97.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one (CID 71252650) is 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one.

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

The canonical SMILES for 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one is CC(=O)N1CCN(c2cc(N3CCCC3=O)ccc2C(=O)N2CCN(c3ncc(C)cc3C)CC2)C1=O.

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

The InChIKey is JGHNUGSOSXIBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-18-15-19(2)25(28-17-18)29-9-11-30(12-10-29)26(36)22-7-6-21(32-8-4-5-24(32)35)16-23(22)33-14-13-31(20(3)34)27(33)37/h6-7,15-17H,4-5,8-14H2,1-3H3.

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

1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one has a molecular weight of 504.59 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-(2-oxopyrrolidin-1-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 71252650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).