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

C21H16FN3S — CID 10546529

IUPAC4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine
SMILESCSc1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H16FN3S/c1-26-19-5-3-2-4-18(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
InChIKeyNJBOQGZRBOSMCW-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.46
Rot. Bonds4

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

4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine (PubChem CID 10546529) has the molecular formula C21H16FN3S and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine
PubChem CID10546529
Molecular FormulaC21H16FN3S
Molecular Weight361.45 g/mol
Exact Mass361.10
IUPAC Name4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine
SMILESCSc1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H16FN3S/c1-26-19-5-3-2-4-18(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
InChIKeyNJBOQGZRBOSMCW-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-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine (CID 10546529) is 4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine is CSc1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine?
The InChIKey is NJBOQGZRBOSMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3S/c1-26-19-5-3-2-4-18(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-methylsulfanylphenyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(2-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-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 10546529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).