6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one

C21H28N6O — CID 126931106

IUPAC6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N2CCCCC2CNc2nc3ccccc3n2C)ccc1=O
InChIInChI=1S/C21H28N6O/c1-15(2)27-20(28)12-11-19(24-27)26-13-7-6-8-16(26)14-22-21-23-17-9-4-5-10-18(17)25(21)3/h4-5,9-12,15-16H,6-8,13-14H2,1-3H3,(H,22,23)
InChIKeySZPVPMNGLJQBPG-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.18
Rot. Bonds5

About 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one

6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one (PubChem CID 126931106) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
PubChem CID126931106
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(N2CCCCC2CNc2nc3ccccc3n2C)ccc1=O
InChIInChI=1S/C21H28N6O/c1-15(2)27-20(28)12-11-19(24-27)26-13-7-6-8-16(26)14-22-21-23-17-9-4-5-10-18(17)25(21)3/h4-5,9-12,15-16H,6-8,13-14H2,1-3H3,(H,22,23)
InChIKeySZPVPMNGLJQBPG-UHFFFAOYSA-N
XLogP3.18
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one with MolForge

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Related Compounds

6-[2-[[(4-methylphthalazin-1-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931157
6-[2-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931127
2-propan-2-yl-6-[2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931096
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
2-propan-2-yl-6-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931158
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
CID 126930558
2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
6-[2-[[(2-methylpyrazol-3-yl)methylamino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931168
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
6-[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931098
6-[2-[[(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931232
1,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]pyrazole-3-carboxamide
CID 126931038

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one (CID 126931106) is 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(N2CCCCC2CNc2nc3ccccc3n2C)ccc1=O.
What is the InChIKey of 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is SZPVPMNGLJQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15(2)27-20(28)12-11-19(24-27)26-13-7-6-8-16(26)14-22-21-23-17-9-4-5-10-18(17)25(21)3/h4-5,9-12,15-16H,6-8,13-14H2,1-3H3,(H,22,23).
What are the key properties of 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one?
6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 380.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(1-methylbenzimidazol-2-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 126931106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).