1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one

C22H26N6O3 — CID 123328945

About 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one

1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one (PubChem CID 123328945) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one.

Molecular Properties

• Compound Name: 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one
• PubChem CID: 123328945
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one
• SMILES: Cc1cnc(N2CCN(C(=O)c3ccc(-n4c(C)c(O)n(C)c4=O)nc3)CC2)c(C)c1
• InChI: InChI=1S/C22H26N6O3/c1-14-11-15(2)19(24-12-14)26-7-9-27(10-8-26)21(30)17-5-6-18(23-13-17)28-16(3)20(29)25(4)22(28)31/h5-6,11-13,29H,7-10H2,1-4H3
• InChIKey: NNCLBIQAJDGBDX-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 96.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one?

The IUPAC name of 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one (CID 123328945) is 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one.

What is the SMILES notation for 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one?

The canonical SMILES for 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(-n4c(C)c(O)n(C)c4=O)nc3)CC2)c(C)c1.

What is the InChIKey of 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one?

The InChIKey is NNCLBIQAJDGBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14-11-15(2)19(24-12-14)26-7-9-27(10-8-26)21(30)17-5-6-18(23-13-17)28-16(3)20(29)25(4)22(28)31/h5-6,11-13,29H,7-10H2,1-4H3.

What are the key properties of 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one?

1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one has a molecular weight of 422.49 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-hydroxy-3,5-dimethylimidazol-2-one is sourced from PubChem (CID 123328945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).