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

C21H26N6O2 — CID 150604099

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

1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 150604099) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one
• PubChem CID: 150604099
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: 1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one
• SMILES: Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4CCNC4=O)nc3)CC2)nc1C
• InChI: InChI=1S/C21H26N6O2/c1-14-12-15(2)19(24-16(14)3)25-8-10-26(11-9-25)20(28)17-4-5-18(23-13-17)27-7-6-22-21(27)29/h4-5,12-13H,6-11H2,1-3H3,(H,22,29)
• InChIKey: ISMVMYLWIUDRCB-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 81.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one (CID 150604099) is 1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one.

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

The canonical SMILES for 1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one is Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4CCNC4=O)nc3)CC2)nc1C.

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

The InChIKey is ISMVMYLWIUDRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14-12-15(2)19(24-16(14)3)25-8-10-26(11-9-25)20(28)17-4-5-18(23-13-17)27-7-6-22-21(27)29/h4-5,12-13H,6-11H2,1-3H3,(H,22,29).

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

1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 150604099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).