5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine

C13H12N4O2S — CID 82007764

IUPAC5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccc(N)nc3)nc12
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)10-4-2-3-9-12(10)17-13(16-9)8-5-6-11(14)15-7-8/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyPGKZICZEBIWXCR-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.61
Rot. Bonds2

About 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine

5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine (PubChem CID 82007764) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
PubChem CID82007764
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESCS(=O)(=O)c1cccc2[nH]c(-c3ccc(N)nc3)nc12
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)10-4-2-3-9-12(10)17-13(16-9)8-5-6-11(14)15-7-8/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyPGKZICZEBIWXCR-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine (CID 82007764) is 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine is CS(=O)(=O)c1cccc2[nH]c(-c3ccc(N)nc3)nc12.
What is the InChIKey of 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
The InChIKey is PGKZICZEBIWXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-20(18,19)10-4-2-3-9-12(10)17-13(16-9)8-5-6-11(14)15-7-8/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine?
5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-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 5-(4-methylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 82007764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).