2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one

C17H19N5O — CID 126934355

IUPAC2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H19N5O/c23-16-6-3-11-18-22(16)13-9-7-12(8-10-13)19-17-20-14-4-1-2-5-15(14)21-17/h1-6,11-13H,7-10H2,(H2,19,20,21)
InChIKeyKKHQJOSTHDAWME-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.72
Rot. Bonds3

About 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one

2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934355) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934355
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H19N5O/c23-16-6-3-11-18-22(16)13-9-7-12(8-10-13)19-17-20-14-4-1-2-5-15(14)21-17/h1-6,11-13H,7-10H2,(H2,19,20,21)
InChIKeyKKHQJOSTHDAWME-UHFFFAOYSA-N
XLogP2.72
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715
3-methyl-2-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]quinazolin-4-one
CID 126934525
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934386
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126934326
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
2-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934470
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one (CID 126934355) is 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is KKHQJOSTHDAWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-16-6-3-11-18-22(16)13-9-7-12(8-10-13)19-17-20-14-4-1-2-5-15(14)21-17/h1-6,11-13H,7-10H2,(H2,19,20,21).
What are the key properties of 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one?
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 309.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).