2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine

C13H12N4O2S — CID 104740764

IUPAC2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ncccc3N)nc12
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)10-6-2-5-9-12(10)17-13(16-9)11-8(14)4-3-7-15-11/h2-7H,14H2,1H3,(H,16,17)
InChIKeyVBPTWFJEINYXNI-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.61
Rot. Bonds2

About 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine

2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine (PubChem CID 104740764) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine
PubChem CID104740764
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ncccc3N)nc12
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)10-6-2-5-9-12(10)17-13(16-9)11-8(14)4-3-7-15-11/h2-7H,14H2,1H3,(H,16,17)
InChIKeyVBPTWFJEINYXNI-UHFFFAOYSA-N
XLogP1.61
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82000881
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811548
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82007764
2-(6-methyl-3-pyridinyl)-4-methylsulfonyl-1H-benzimidazole
CID 82007857
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104671046
4,5-dimethyl-3-(4-methylsulfonyl-1H-benzimidazol-2-yl)thiophen-2-amine
CID 82000693
3-chloro-5-(4-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 82000564
2-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740767
4-methylsulfonyl-2-(methylsulfonylmethyl)-1H-benzimidazole
CID 82007940
4-(4-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 82000837
2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007684
2-(3-chloro-4-iodophenyl)-4-methylsulfonyl-1H-benzimidazole
CID 103222497

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine?
The IUPAC name of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine (CID 104740764) is 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine?
The canonical SMILES for 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine is CS(=O)(=O)c1cccc2[nH]c(-c3ncccc3N)nc12.
What is the InChIKey of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine?
The InChIKey is VBPTWFJEINYXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-20(18,19)10-6-2-5-9-12(10)17-13(16-9)11-8(14)4-3-7-15-11/h2-7H,14H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine?
2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine has a molecular weight of 288.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 104740764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).