2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole

C14H10BrFN2O2S — CID 62068547

IUPAC2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1
InChIInChI=1S/C14H10BrFN2O2S/c1-21(19,20)11-2-3-12-13(7-11)18-14(17-12)8-4-9(15)6-10(16)5-8/h2-7H,1H3,(H,17,18)
InChIKeyLFKVDVGFXVMSPE-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.54
Rot. Bonds2

About 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole

2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole (PubChem CID 62068547) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
PubChem CID62068547
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1
InChIInChI=1S/C14H10BrFN2O2S/c1-21(19,20)11-2-3-12-13(7-11)18-14(17-12)8-4-9(15)6-10(16)5-8/h2-7H,1H3,(H,17,18)
InChIKeyLFKVDVGFXVMSPE-UHFFFAOYSA-N
XLogP3.54
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole (CID 62068547) is 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole is CS(=O)(=O)c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
The InChIKey is LFKVDVGFXVMSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-21(19,20)11-2-3-12-13(7-11)18-14(17-12)8-4-9(15)6-10(16)5-8/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole?
2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole has a molecular weight of 369.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 62068547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).