3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one

C11H6F2N4O — CID 136710717

IUPAC3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)n[nH]1
InChIInChI=1S/C11H6F2N4O/c12-5-3-6(13)10-8(4-5)14-11(15-10)7-1-2-9(18)17-16-7/h1-4H,(H,14,15)(H,17,18)
InChIKeyLDXSFLZLRMXBFQ-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.59
Rot. Bonds1

About 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one

3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one (PubChem CID 136710717) has the molecular formula C11H6F2N4O and a molecular weight of 248.19 g/mol. Its IUPAC name is 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
PubChem CID136710717
Molecular FormulaC11H6F2N4O
Molecular Weight248.19 g/mol
Exact Mass248.05
IUPAC Name3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)n[nH]1
InChIInChI=1S/C11H6F2N4O/c12-5-3-6(13)10-8(4-5)14-11(15-10)7-1-2-9(18)17-16-7/h1-4H,(H,14,15)(H,17,18)
InChIKeyLDXSFLZLRMXBFQ-UHFFFAOYSA-N
XLogP1.59
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
4,6-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909123
2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463555
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81455041
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
CID 81463475
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
2-(4-ethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463194
2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463017
3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107050001

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one (CID 136710717) is 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one is O=c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)n[nH]1.
What is the InChIKey of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
The InChIKey is LDXSFLZLRMXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4O/c12-5-3-6(13)10-8(4-5)14-11(15-10)7-1-2-9(18)17-16-7/h1-4H,(H,14,15)(H,17,18).
What are the key properties of 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one?
3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one has a molecular weight of 248.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 136710717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).