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

C13H12N4O3 — CID 136710701

IUPAC3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
SMILESCOc1cc2nc(-c3ccc(=O)[nH]n3)[nH]c2cc1OC
InChIInChI=1S/C13H12N4O3/c1-19-10-5-8-9(6-11(10)20-2)15-13(14-8)7-3-4-12(18)17-16-7/h3-6H,1-2H3,(H,14,15)(H,17,18)
InChIKeyQEYWDEISENAPAL-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.33
Rot. Bonds3

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

3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one (PubChem CID 136710701) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
PubChem CID136710701
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
SMILESCOc1cc2nc(-c3ccc(=O)[nH]n3)[nH]c2cc1OC
InChIInChI=1S/C13H12N4O3/c1-19-10-5-8-9(6-11(10)20-2)15-13(14-8)7-3-4-12(18)17-16-7/h3-6H,1-2H3,(H,14,15)(H,17,18)
InChIKeyQEYWDEISENAPAL-UHFFFAOYSA-N
XLogP1.33
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one (CID 136710701) is 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one is COc1cc2nc(-c3ccc(=O)[nH]n3)[nH]c2cc1OC.
What is the InChIKey of 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The InChIKey is QEYWDEISENAPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-19-10-5-8-9(6-11(10)20-2)15-13(14-8)7-3-4-12(18)17-16-7/h3-6H,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one has a molecular weight of 272.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 136710701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).