5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole

C9H9FN2O2S — CID 90821607

IUPAC5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole
SMILESCc1cc2[nH]c(S(C)(=O)=O)nc2cc1F
InChIInChI=1S/C9H9FN2O2S/c1-5-3-7-8(4-6(5)10)12-9(11-7)15(2,13)14/h3-4H,1-2H3,(H,11,12)
InChIKeyHRVUPEZTGNKYFM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.41
Rot. Bonds1

About 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole

5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole (PubChem CID 90821607) has the molecular formula C9H9FN2O2S and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole
PubChem CID90821607
Molecular FormulaC9H9FN2O2S
Molecular Weight228.25 g/mol
Exact Mass228.04
IUPAC Name5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole
SMILESCc1cc2[nH]c(S(C)(=O)=O)nc2cc1F
InChIInChI=1S/C9H9FN2O2S/c1-5-3-7-8(4-6(5)10)12-9(11-7)15(2,13)14/h3-4H,1-2H3,(H,11,12)
InChIKeyHRVUPEZTGNKYFM-UHFFFAOYSA-N
XLogP1.41
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole (CID 90821607) is 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole is Cc1cc2[nH]c(S(C)(=O)=O)nc2cc1F.
What is the InChIKey of 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole?
The InChIKey is HRVUPEZTGNKYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2S/c1-5-3-7-8(4-6(5)10)12-9(11-7)15(2,13)14/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole?
5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole has a molecular weight of 228.25 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 90821607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).