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

C25H18FN3S — CID 10862514

IUPAC4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(SCc3cccc4ccccc34)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C25H18FN3S/c26-21-10-8-18(9-11-21)23-24(19-12-14-27-15-13-19)29-25(28-23)30-16-20-6-3-5-17-4-1-2-7-22(17)20/h1-15H,16H2,(H,28,29)
InChIKeyNRDBPDWNLDCMNL-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.72
Rot. Bonds5

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

4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10862514) has the molecular formula C25H18FN3S and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine
PubChem CID10862514
Molecular FormulaC25H18FN3S
Molecular Weight411.51 g/mol
Exact Mass411.12
IUPAC Name4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(SCc3cccc4ccccc34)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C25H18FN3S/c26-21-10-8-18(9-11-21)23-24(19-12-14-27-15-13-19)29-25(28-23)30-16-20-6-3-5-17-4-1-2-7-22(17)20/h1-15H,16H2,(H,28,29)
InChIKeyNRDBPDWNLDCMNL-UHFFFAOYSA-N
XLogP6.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.72
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-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine (CID 10862514) is 4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(SCc3cccc4ccccc34)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is NRDBPDWNLDCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3S/c26-21-10-8-18(9-11-21)23-24(19-12-14-27-15-13-19)29-25(28-23)30-16-20-6-3-5-17-4-1-2-7-22(17)20/h1-15H,16H2,(H,28,29).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 411.51 g/mol, XLogP of 6.72, 5 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-(naphthalen-1-ylmethylsulfanyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10862514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).