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

C21H16FN3S — CID 10546528

IUPAC4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine
SMILESCSc1cccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)c1
InChIInChI=1S/C21H16FN3S/c1-26-19-4-2-3-18(13-19)25-14-24-20(15-5-7-17(22)8-6-15)21(25)16-9-11-23-12-10-16/h2-14H,1H3
InChIKeyKCRPPQYLFPCZML-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.46
Rot. Bonds4

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

4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine (PubChem CID 10546528) has the molecular formula C21H16FN3S and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine
PubChem CID10546528
Molecular FormulaC21H16FN3S
Molecular Weight361.45 g/mol
Exact Mass361.10
IUPAC Name4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine
SMILESCSc1cccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)c1
InChIInChI=1S/C21H16FN3S/c1-26-19-4-2-3-18(13-19)25-14-24-20(15-5-7-17(22)8-6-15)21(25)16-9-11-23-12-10-16/h2-14H,1H3
InChIKeyKCRPPQYLFPCZML-UHFFFAOYSA-N
XLogP5.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.46
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-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine (CID 10546528) is 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine is CSc1cccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)c1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The InChIKey is KCRPPQYLFPCZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3S/c1-26-19-4-2-3-18(13-19)25-14-24-20(15-5-7-17(22)8-6-15)21(25)16-9-11-23-12-10-16/h2-14H,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine has a molecular weight of 361.45 g/mol, XLogP of 5.46, 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-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10546528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).