6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one

C24H32N6O2 — CID 11112914

About 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one

6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one (PubChem CID 11112914) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one
• PubChem CID: 11112914
• Molecular Formula: C24H32N6O2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.26
• IUPAC Name: 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one
• SMILES: COc1ccccc1N1CCN(CCCCCCn2nc(-n3ccnc3)ccc2=O)CC1
• InChI: InChI=1S/C24H32N6O2/c1-32-22-9-5-4-8-21(22)28-18-16-27(17-19-28)13-6-2-3-7-14-30-24(31)11-10-23(26-30)29-15-12-25-20-29/h4-5,8-12,15,20H,2-3,6-7,13-14,16-19H2,1H3
• InChIKey: CNLNDWDYGMPWTL-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 68.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?

The IUPAC name of 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one (CID 11112914) is 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one.

What is the SMILES notation for 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?

The canonical SMILES for 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCCCn2nc(-n3ccnc3)ccc2=O)CC1.

What is the InChIKey of 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?

The InChIKey is CNLNDWDYGMPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-32-22-9-5-4-8-21(22)28-18-16-27(17-19-28)13-6-2-3-7-14-30-24(31)11-10-23(26-30)29-15-12-25-20-29/h4-5,8-12,15,20H,2-3,6-7,13-14,16-19H2,1H3.

What are the key properties of 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?

6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one has a molecular weight of 436.56 g/mol, XLogP of 2.82, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-imidazol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one is sourced from PubChem (CID 11112914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).