1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole

C16H13BrN2O2S — CID 46911671

IUPAC1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2cncn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-22(20,21)15-8-2-12(3-9-15)16-10-18-11-19(16)14-6-4-13(17)5-7-14/h2-11H,1H3
InChIKeyKBPJYNOYWPSPLL-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.71
Rot. Bonds3

About 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole

1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole (PubChem CID 46911671) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole
PubChem CID46911671
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole
SMILESCS(=O)(=O)c1ccc(-c2cncn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-22(20,21)15-8-2-12(3-9-15)16-10-18-11-19(16)14-6-4-13(17)5-7-14/h2-11H,1H3
InChIKeyKBPJYNOYWPSPLL-UHFFFAOYSA-N
XLogP3.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole (CID 46911671) is 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole is CS(=O)(=O)c1ccc(-c2cncn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole?
The InChIKey is KBPJYNOYWPSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-22(20,21)15-8-2-12(3-9-15)16-10-18-11-19(16)14-6-4-13(17)5-7-14/h2-11H,1H3.
What are the key properties of 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole?
1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole has a molecular weight of 377.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 46911671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).