5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole

C14H10BrFN2O2S — CID 79599219

IUPAC5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1
InChIInChI=1S/C14H10BrFN2O2S/c1-21(19,20)9-4-2-8(3-5-9)14-17-12-6-10(15)11(16)7-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyYRAQLXUITSAUQC-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.54
Rot. Bonds2

About 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole

5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole (PubChem CID 79599219) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
PubChem CID79599219
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1
InChIInChI=1S/C14H10BrFN2O2S/c1-21(19,20)9-4-2-8(3-5-9)14-17-12-6-10(15)11(16)7-13(12)18-14/h2-7H,1H3,(H,17,18)
InChIKeyYRAQLXUITSAUQC-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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Related Compounds

5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile
CID 79631613
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 79631765
2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068547
5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
2-(4-methylsulfonylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 166385617
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole (CID 79599219) is 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole is CS(=O)(=O)c1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1.
What is the InChIKey of 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
The InChIKey is YRAQLXUITSAUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-21(19,20)9-4-2-8(3-5-9)14-17-12-6-10(15)11(16)7-13(12)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-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 5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole is sourced from PubChem (CID 79599219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).