6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one

C27H32N6O2 — CID 11016188

About 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one

6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one (PubChem CID 11016188) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
• PubChem CID: 11016188
• Molecular Formula: C27H32N6O2
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.26
• IUPAC Name: 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
• SMILES: COc1ccccc1N1CCN(CCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
• InChI: InChI=1S/C27H32N6O2/c1-35-25-12-6-5-11-24(25)31-19-17-30(18-20-31)15-7-2-8-16-33-27(34)14-13-26(29-33)32-21-28-22-9-3-4-10-23(22)32/h3-6,9-14,21H,2,7-8,15-20H2,1H3
• InChIKey: NSLWMTLARRKSRX-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 68.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	3.58
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-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?

The IUPAC name of 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one (CID 11016188) is 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one.

What is the SMILES notation for 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?

The canonical SMILES for 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1.

What is the InChIKey of 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?

The InChIKey is NSLWMTLARRKSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-35-25-12-6-5-11-24(25)31-19-17-30(18-20-31)15-7-2-8-16-33-27(34)14-13-26(29-33)32-21-28-22-9-3-4-10-23(22)32/h3-6,9-14,21H,2,7-8,15-20H2,1H3.

What are the key properties of 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?

6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one has a molecular weight of 472.59 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one is sourced from PubChem (CID 11016188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).