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

C26H30N6O2 — CID 10456862

IUPAC6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=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
InChIKeyZAINZDRZRMCDJR-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.19
Rot. Bonds8

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 Name6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
PubChem CID10456862
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name6-(benzimidazol-1-yl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=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
InChIKeyZAINZDRZRMCDJR-UHFFFAOYSA-N
XLogP3.19
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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).