4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine

C21H16FN3OS — CID 10643315

IUPAC4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine
SMILESCS(=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H16FN3OS/c1-27(26)19-5-3-2-4-18(19)25-14-24-20(15-6-8-17(22)9-7-15)21(25)16-10-12-23-13-11-16/h2-14H,1H3
InChIKeyWHXPUOMLBIINHX-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.48
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine (PubChem CID 10643315) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine
PubChem CID10643315
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine
SMILESCS(=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H16FN3OS/c1-27(26)19-5-3-2-4-18(19)25-14-24-20(15-6-8-17(22)9-7-15)21(25)16-10-12-23-13-11-16/h2-14H,1H3
InChIKeyWHXPUOMLBIINHX-UHFFFAOYSA-N
XLogP4.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine (CID 10643315) is 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine is CS(=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine?
The InChIKey is WHXPUOMLBIINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c1-27(26)19-5-3-2-4-18(19)25-14-24-20(15-6-8-17(22)9-7-15)21(25)16-10-12-23-13-11-16/h2-14H,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine has a molecular weight of 377.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10643315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).