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

C24H26N6O2 — CID 11732738

IUPAC6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C24H26N6O2/c1-32-22-9-5-4-8-21(22)28-15-12-27(13-16-28)14-17-30-24(31)11-10-23(26-30)29-18-25-19-6-2-3-7-20(19)29/h2-11,18H,12-17H2,1H3
InChIKeyLDNGDGFQRINJBV-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.41
Rot. Bonds6

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

6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 11732738) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID11732738
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCn2nc(-n3cnc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C24H26N6O2/c1-32-22-9-5-4-8-21(22)28-15-12-27(13-16-28)14-17-30-24(31)11-10-23(26-30)29-18-25-19-6-2-3-7-20(19)29/h2-11,18H,12-17H2,1H3
InChIKeyLDNGDGFQRINJBV-UHFFFAOYSA-N
XLogP2.41
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 4826074
1-(1-Ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2998393
6-(1H-indol-1-yl)-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 10072826
6-(1H-benzo[d]imidazol-1-yl)-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 10456862
6-(1H-indol-1-yl)-2-(7-(4-(2-methoxyphenyl)piperazin-1-yl)heptyl)pyridazin-3(2H)-one
CID 10874749
6-(1H-imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)pyridazin-3(2H)-one
CID 10927333
6-(1H-indol-1-yl)-2-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)pyridazin-3(2H)-one
CID 10928816
6-(Benzimidazol-1-yl)-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
CID 10962155
6-(1H-benzo[d]imidazol-1-yl)-2-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)pyridazin-3(2H)-one
CID 11016188
6-Imidazol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 11036286
6-(1H-benzo[d]imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)pyridazin-3(2H)-one
CID 11048520
6-(1H-indol-1-yl)-2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 11091275

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 11732738) is 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one is COc1ccccc1N1CCN(CCn2nc(-n3cnc4ccccc43)ccc2=O)CC1.
What is the InChIKey of 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is LDNGDGFQRINJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-32-22-9-5-4-8-21(22)28-15-12-27(13-16-28)14-17-30-24(31)11-10-23(26-30)29-18-25-19-6-2-3-7-20(19)29/h2-11,18H,12-17H2,1H3.
What are the key properties of 6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-(benzimidazol-1-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 430.51 g/mol, XLogP of 2.41, 6 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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 11732738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).