5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one

C11H9N5O — CID 670851

IUPAC5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
SMILESNc1cc(-c2nc3ccccc3[nH]2)n[nH]c1=O
InChIInChI=1S/C11H9N5O/c12-6-5-9(15-16-11(6)17)10-13-7-3-1-2-4-8(7)14-10/h1-5H,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyWKXGYUANKKYRFY-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.90
Rot. Bonds1

About 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one

5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one (PubChem CID 670851) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
PubChem CID670851
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
SMILESNc1cc(-c2nc3ccccc3[nH]2)n[nH]c1=O
InChIInChI=1S/C11H9N5O/c12-6-5-9(15-16-11(6)17)10-13-7-3-1-2-4-8(7)14-10/h1-5H,(H2,12,15)(H,13,14)(H,16,17)
InChIKeyWKXGYUANKKYRFY-UHFFFAOYSA-N
XLogP0.90
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
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benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
CID 159111206
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one
CID 135978804
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
4-(1H-benzimidazol-2-yl)-2,6-dimethylaniline
CID 121004860
2-[6-(1H-benzimidazol-2-yl)-4-[4-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-2-pyridinyl]-1H-benzimidazole
CID 59359581
2-(1-methylimidazol-4-yl)-1H-benzimidazole
CID 45078360

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one (CID 670851) is 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one is Nc1cc(-c2nc3ccccc3[nH]2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The InChIKey is WKXGYUANKKYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-6-5-9(15-16-11(6)17)10-13-7-3-1-2-4-8(7)14-10/h1-5H,(H2,12,15)(H,13,14)(H,16,17).
What are the key properties of 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one has a molecular weight of 227.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 670851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).