2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine

C31H21FN2S — CID 71699137

IUPAC2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(Sc4ccccc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H21FN2S/c32-26-16-14-23(15-17-26)30-31(25-11-7-10-24(20-25)22-8-3-1-4-9-22)34-21-28(18-19-29(34)33-30)35-27-12-5-2-6-13-27/h1-21H
InChIKeyXDCVHANRCOTZOM-UHFFFAOYSA-N
MW472.59 g/mol
LogP8.63
Rot. Bonds5

About 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine

2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine (PubChem CID 71699137) has the molecular formula C31H21FN2S and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine
PubChem CID71699137
Molecular FormulaC31H21FN2S
Molecular Weight472.59 g/mol
Exact Mass472.14
IUPAC Name2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(Sc4ccccc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C31H21FN2S/c32-26-16-14-23(15-17-26)30-31(25-11-7-10-24(20-25)22-8-3-1-4-9-22)34-21-28(18-19-29(34)33-30)35-27-12-5-2-6-13-27/h1-21H
InChIKeyXDCVHANRCOTZOM-UHFFFAOYSA-N
XLogP8.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine (CID 71699137) is 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine is Fc1ccc(-c2nc3ccc(Sc4ccccc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine?
The InChIKey is XDCVHANRCOTZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN2S/c32-26-16-14-23(15-17-26)30-31(25-11-7-10-24(20-25)22-8-3-1-4-9-22)34-21-28(18-19-29(34)33-30)35-27-12-5-2-6-13-27/h1-21H.
What are the key properties of 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine?
2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine has a molecular weight of 472.59 g/mol, XLogP of 8.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-phenylsulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 71699137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).