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

C26H30N6O2 — CID 10456862

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

6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one (PubChem CID 10456862) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
• PubChem CID: 10456862
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: 6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
• SMILES: COc1ccccc1N1CCN(CCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
• InChI: InChI=1S/C26H30N6O2/c1-34-24-11-5-4-10-23(24)30-18-16-29(17-19-30)14-6-7-15-32-26(33)13-12-25(28-32)31-20-27-21-8-2-3-9-22(21)31/h2-5,8-13,20H,6-7,14-19H2,1H3
• InChIKey: ZAINZDRZRMCDJR-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 68.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	3.19
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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one?

The IUPAC name of 6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one (CID 10456862) is 6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one.

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

The canonical SMILES for 6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1.

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

The InChIKey is ZAINZDRZRMCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-34-24-11-5-4-10-23(24)30-18-16-29(17-19-30)14-6-7-15-32-26(33)13-12-25(28-32)31-20-27-21-8-2-3-9-22(21)31/h2-5,8-13,20H,6-7,14-19H2,1H3.

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

6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one has a molecular weight of 458.57 g/mol, XLogP of 3.19, 8 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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one is sourced from PubChem (CID 10456862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).