2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

C19H23N7O — CID 121054075

IUPAC2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCN(C)c1ccc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)nn1
InChIInChI=1S/C19H23N7O/c1-23(2)17-7-8-18(22-21-17)24-9-11-25(12-10-24)19(27)13-26-14-20-15-5-3-4-6-16(15)26/h3-8,14H,9-13H2,1-2H3
InChIKeyVDVOGWFWPNLMST-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.24
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 121054075) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID121054075
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCN(C)c1ccc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)nn1
InChIInChI=1S/C19H23N7O/c1-23(2)17-7-8-18(22-21-17)24-9-11-25(12-10-24)19(27)13-26-14-20-15-5-3-4-6-16(15)26/h3-8,14H,9-13H2,1-2H3
InChIKeyVDVOGWFWPNLMST-UHFFFAOYSA-N
XLogP1.24
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122334072
2-(benzimidazol-1-yl)-1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121059948
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
2-(benzimidazol-1-yl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 70703750
2-(1-adamantyl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122334104
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122334054
3-cyclopentyl-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122334043
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121053728
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122335567
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 121054075) is 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is CN(C)c1ccc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)nn1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is VDVOGWFWPNLMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-23(2)17-7-8-18(22-21-17)24-9-11-25(12-10-24)19(27)13-26-14-20-15-5-3-4-6-16(15)26/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121054075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).