5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole

C16H13FN2OS — CID 22600062

IUPAC5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole
SMILESCS(=O)c1ccc(-n2cncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2OS/c1-21(20)15-8-6-14(7-9-15)19-11-18-10-16(19)12-2-4-13(17)5-3-12/h2-11H,1H3
InChIKeyKZKSZVJPUBPFCS-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.42
Rot. Bonds3

About 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole

5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole (PubChem CID 22600062) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole
PubChem CID22600062
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole
SMILESCS(=O)c1ccc(-n2cncc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2OS/c1-21(20)15-8-6-14(7-9-15)19-11-18-10-16(19)12-2-4-13(17)5-3-12/h2-11H,1H3
InChIKeyKZKSZVJPUBPFCS-UHFFFAOYSA-N
XLogP3.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole?
The IUPAC name of 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole (CID 22600062) is 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole?
The canonical SMILES for 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole is CS(=O)c1ccc(-n2cncc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole?
The InChIKey is KZKSZVJPUBPFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-21(20)15-8-6-14(7-9-15)19-11-18-10-16(19)12-2-4-13(17)5-3-12/h2-11H,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole?
5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole has a molecular weight of 300.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(4-methylsulfinylphenyl)imidazole is sourced from PubChem (CID 22600062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).