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

C29H19FN2S — CID 71699136

IUPAC2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H19FN2S/c30-26-12-9-21(10-13-26)28-29(23-8-4-7-22(17-23)20-5-2-1-3-6-20)32-18-24(11-14-27(32)31-28)25-15-16-33-19-25/h1-19H
InChIKeyIZBMKUBSIXBRNU-UHFFFAOYSA-N
MW446.55 g/mol
LogP8.20
Rot. Bonds4

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

2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine (PubChem CID 71699136) has the molecular formula C29H19FN2S and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
PubChem CID71699136
Molecular FormulaC29H19FN2S
Molecular Weight446.55 g/mol
Exact Mass446.13
IUPAC Name2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H19FN2S/c30-26-12-9-21(10-13-26)28-29(23-8-4-7-22(17-23)20-5-2-1-3-6-20)32-18-24(11-14-27(32)31-28)25-15-16-33-19-25/h1-19H
InChIKeyIZBMKUBSIXBRNU-UHFFFAOYSA-N
XLogP8.20
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 58.20
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-thiophen-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine (CID 71699136) is 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine is Fc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The InChIKey is IZBMKUBSIXBRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19FN2S/c30-26-12-9-21(10-13-26)28-29(23-8-4-7-22(17-23)20-5-2-1-3-6-20)32-18-24(11-14-27(32)31-28)25-15-16-33-19-25/h1-19H.
What are the key properties of 2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
2-(4-fluorophenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine has a molecular weight of 446.55 g/mol, XLogP of 8.20, 4 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-thiophen-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 71699136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).