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

C17H15FN2O2S — CID 11121068

IUPAC1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole
SMILESCc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-12-19-11-17(20(12)15-7-5-14(18)6-8-15)13-3-9-16(10-4-13)23(2,21)22/h3-11H,1-2H3
InChIKeyXWILVGNOWIKYOM-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.39
Rot. Bonds3

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

1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole (PubChem CID 11121068) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole
PubChem CID11121068
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole
SMILESCc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-12-19-11-17(20(12)15-7-5-14(18)6-8-15)13-3-9-16(10-4-13)23(2,21)22/h3-11H,1-2H3
InChIKeyXWILVGNOWIKYOM-UHFFFAOYSA-N
XLogP3.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole (CID 11121068) is 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole is Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole?
The InChIKey is XWILVGNOWIKYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-12-19-11-17(20(12)15-7-5-14(18)6-8-15)13-3-9-16(10-4-13)23(2,21)22/h3-11H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole?
1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole has a molecular weight of 330.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 11121068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).