2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole

C14H13N3O2S — CID 82007857

IUPAC2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(S(C)(=O)=O)cccc3[nH]2)cn1
InChIInChI=1S/C14H13N3O2S/c1-9-6-7-10(8-15-9)14-16-11-4-3-5-12(13(11)17-14)20(2,18)19/h3-8H,1-2H3,(H,16,17)
InChIKeyGQRHJLVTKIOVJB-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.34
Rot. Bonds2

About 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole

2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole (PubChem CID 82007857) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
PubChem CID82007857
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(S(C)(=O)=O)cccc3[nH]2)cn1
InChIInChI=1S/C14H13N3O2S/c1-9-6-7-10(8-15-9)14-16-11-4-3-5-12(13(11)17-14)20(2,18)19/h3-8H,1-2H3,(H,16,17)
InChIKeyGQRHJLVTKIOVJB-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82007764
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104671046
4-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 82000837
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811548
2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
CID 103222497
2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740764
3-chloro-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 82000564
2-(2-methoxy-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82000881
2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007684
4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 82000693
4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole
CID 82007940
2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007938

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole (CID 82007857) is 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole is Cc1ccc(-c2nc3c(S(C)(=O)=O)cccc3[nH]2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole?
The InChIKey is GQRHJLVTKIOVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-6-7-10(8-15-9)14-16-11-4-3-5-12(13(11)17-14)20(2,18)19/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole?
2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole has a molecular weight of 287.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 82007857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).