4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline

C19H14FN3S — CID 44568681

IUPAC4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc3ccccc23)[nH]1
InChIInChI=1S/C19H14FN3S/c1-24-19-22-17(12-6-8-13(20)9-7-12)18(23-19)15-10-11-21-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,22,23)
InChIKeyOOECCDQCTXCCEX-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.15
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline

4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline (PubChem CID 44568681) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline
PubChem CID44568681
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline
SMILESCSc1nc(-c2ccc(F)cc2)c(-c2ccnc3ccccc23)[nH]1
InChIInChI=1S/C19H14FN3S/c1-24-19-22-17(12-6-8-13(20)9-7-12)18(23-19)15-10-11-21-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,22,23)
InChIKeyOOECCDQCTXCCEX-UHFFFAOYSA-N
XLogP5.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.15
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-methylsulfanyl-1H-imidazol-5-yl]quinoline?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline (CID 44568681) is 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline is CSc1nc(-c2ccc(F)cc2)c(-c2ccnc3ccccc23)[nH]1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline?
The InChIKey is OOECCDQCTXCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c1-24-19-22-17(12-6-8-13(20)9-7-12)18(23-19)15-10-11-21-16-5-3-2-4-14(15)16/h2-11H,1H3,(H,22,23).
What are the key properties of 4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline?
4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]quinoline has a molecular weight of 335.41 g/mol, XLogP of 5.15, 3 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-methylsulfanyl-1H-imidazol-5-yl]quinoline is sourced from PubChem (CID 44568681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).