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

C27H32N6O2 — CID 11016188

IUPAC6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=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
InChIKeyNSLWMTLARRKSRX-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.58
Rot. Bonds9

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 Name6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
PubChem CID11016188
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name6-(benzimidazol-1-yl)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=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
InChIKeyNSLWMTLARRKSRX-UHFFFAOYSA-N
XLogP3.58
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.58
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-[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).