4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole

C12H10N4O2S — CID 104671046

IUPAC4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccnnc3)nc12
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)10-4-2-3-9-11(10)16-12(15-9)8-5-6-13-14-7-8/h2-7H,1H3,(H,15,16)
InChIKeyVEULZATYACIDCK-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.42
Rot. Bonds2

About 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole

4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole (PubChem CID 104671046) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
PubChem CID104671046
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccnnc3)nc12
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)10-4-2-3-9-11(10)16-12(15-9)8-5-6-13-14-7-8/h2-7H,1H3,(H,15,16)
InChIKeyVEULZATYACIDCK-UHFFFAOYSA-N
XLogP1.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82007857
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82007764
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811548
4-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 82000837
2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
CID 103222497
2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile
CID 104720647
3-chloro-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 82000564
2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740764
2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007684
2-(2-methoxy-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82000881
4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole
CID 82007940
4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 82000693

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole?
The IUPAC name of 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole (CID 104671046) is 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole.
What is the SMILES notation for 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole?
The canonical SMILES for 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole is CS(=O)(=O)c1cccc2[nH]c(-c3ccnnc3)nc12.
What is the InChIKey of 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole?
The InChIKey is VEULZATYACIDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-19(17,18)10-4-2-3-9-11(10)16-12(15-9)8-5-6-13-14-7-8/h2-7H,1H3,(H,15,16).
What are the key properties of 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole?
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole has a molecular weight of 274.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole is sourced from PubChem (CID 104671046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).