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

C25H28N6O2 — CID 11048520

IUPAC6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C25H28N6O2/c1-33-23-10-5-4-9-22(23)29-17-15-28(16-18-29)13-6-14-31-25(32)12-11-24(27-31)30-19-26-20-7-2-3-8-21(20)30/h2-5,7-12,19H,6,13-18H2,1H3
InChIKeyDYERXTZKMVHGJP-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.80
Rot. Bonds7

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

6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one (PubChem CID 11048520) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
PubChem CID11048520
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C25H28N6O2/c1-33-23-10-5-4-9-22(23)29-17-15-28(16-18-29)13-6-14-31-25(32)12-11-24(27-31)30-19-26-20-7-2-3-8-21(20)30/h2-5,7-12,19H,6,13-18H2,1H3
InChIKeyDYERXTZKMVHGJP-UHFFFAOYSA-N
XLogP2.80
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The IUPAC name of 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one (CID 11048520) is 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one.
What is the SMILES notation for 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The canonical SMILES for 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1.
What is the InChIKey of 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
The InChIKey is DYERXTZKMVHGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-33-23-10-5-4-9-22(23)29-17-15-28(16-18-29)13-6-14-31-25(32)12-11-24(27-31)30-19-26-20-7-2-3-8-21(20)30/h2-5,7-12,19H,6,13-18H2,1H3.
What are the key properties of 6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one?
6-(benzimidazol-1-yl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one has a molecular weight of 444.54 g/mol, XLogP of 2.80, 7 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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridazin-3-one is sourced from PubChem (CID 11048520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).