4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine

C21H16FN3S — CID 10126163

IUPAC4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCSc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H16FN3S/c1-26-18-5-3-2-4-17(18)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
InChIKeyWEIMNUYTUJXDSU-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.67
Rot. Bonds4

About 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine

4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10126163) has the molecular formula C21H16FN3S and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10126163
Molecular FormulaC21H16FN3S
Molecular Weight361.45 g/mol
Exact Mass361.10
IUPAC Name4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCSc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H16FN3S/c1-26-18-5-3-2-4-17(18)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
InChIKeyWEIMNUYTUJXDSU-UHFFFAOYSA-N
XLogP5.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine (CID 10126163) is 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine is CSc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is WEIMNUYTUJXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3S/c1-26-18-5-3-2-4-17(18)21-24-19(14-6-8-16(22)9-7-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 361.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(2-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10126163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).