2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole

C16H12BrFN2O2S — CID 11731998

IUPAC2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2cnc(Br)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12BrFN2O2S/c1-23(21,22)14-8-2-11(3-9-14)15-10-19-16(17)20(15)13-6-4-12(18)5-7-13/h2-10H,1H3
InChIKeyPOLQBDHDUMYFFH-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole

2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole (PubChem CID 11731998) has the molecular formula C16H12BrFN2O2S and a molecular weight of 395.25 g/mol. Its IUPAC name is 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole
PubChem CID11731998
Molecular FormulaC16H12BrFN2O2S
Molecular Weight395.25 g/mol
Exact Mass393.98
IUPAC Name2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2cnc(Br)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12BrFN2O2S/c1-23(21,22)14-8-2-11(3-9-14)15-10-19-16(17)20(15)13-6-4-12(18)5-7-13/h2-10H,1H3
InChIKeyPOLQBDHDUMYFFH-UHFFFAOYSA-N
XLogP3.84
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole (CID 11731998) is 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole is CS(=O)(=O)c1ccc(-c2cnc(Br)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole?
The InChIKey is POLQBDHDUMYFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2S/c1-23(21,22)14-8-2-11(3-9-14)15-10-19-16(17)20(15)13-6-4-12(18)5-7-13/h2-10H,1H3.
What are the key properties of 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole?
2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole has a molecular weight of 395.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 11731998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).