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

C22H18FN3S — CID 20674619

IUPAC4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine
SMILESCSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2C)cc1
InChIInChI=1S/C22H18FN3S/c1-26-21(16-11-13-24-14-12-16)20(15-3-7-18(23)8-4-15)25-22(26)17-5-9-19(27-2)10-6-17/h3-14H,1-2H3
InChIKeyBJXGEYDZUISYLS-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.68
Rot. Bonds4

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

4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine (PubChem CID 20674619) has the molecular formula C22H18FN3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine
PubChem CID20674619
Molecular FormulaC22H18FN3S
Molecular Weight375.47 g/mol
Exact Mass375.12
IUPAC Name4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine
SMILESCSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2C)cc1
InChIInChI=1S/C22H18FN3S/c1-26-21(16-11-13-24-14-12-16)20(15-3-7-18(23)8-4-15)25-22(26)17-5-9-19(27-2)10-6-17/h3-14H,1-2H3
InChIKeyBJXGEYDZUISYLS-UHFFFAOYSA-N
XLogP5.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.68
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-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine (CID 20674619) is 4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine is CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2C)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The InChIKey is BJXGEYDZUISYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3S/c1-26-21(16-11-13-24-14-12-16)20(15-3-7-18(23)8-4-15)25-22(26)17-5-9-19(27-2)10-6-17/h3-14H,1-2H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine has a molecular weight of 375.47 g/mol, XLogP of 5.68, 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-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 20674619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).