3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

C27H17FN2S — CID 86575029

IUPAC3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc4ccccc4s3)c2)cc1
InChIInChI=1S/C27H17FN2S/c28-22-13-11-18(12-14-22)26-27(30-15-4-3-10-25(30)29-26)21-8-5-7-19(16-21)24-17-20-6-1-2-9-23(20)31-24/h1-17H
InChIKeySPEVIBZTFOKWTI-UHFFFAOYSA-N
MW420.51 g/mol
LogP7.69
Rot. Bonds3

About 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine

3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (PubChem CID 86575029) has the molecular formula C27H17FN2S and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
PubChem CID86575029
Molecular FormulaC27H17FN2S
Molecular Weight420.51 g/mol
Exact Mass420.11
IUPAC Name3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc4ccccc4s3)c2)cc1
InChIInChI=1S/C27H17FN2S/c28-22-13-11-18(12-14-22)26-27(30-15-4-3-10-25(30)29-26)21-8-5-7-19(16-21)24-17-20-6-1-2-9-23(20)31-24/h1-17H
InChIKeySPEVIBZTFOKWTI-UHFFFAOYSA-N
XLogP7.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
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CID 20823959
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093443
Ikk-IN-4
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2-Thiophen-2-ylimidazo[2,1-a]isoquinoline
CID 763549
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
(3R)-1,1-Dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c] pyridine
CID 9803491
4-[5-(4-Fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
4-benzo[b]thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11656831
1-(4-fluoro-benzyl)-6-thiophen-2-yl-1H-[1,2,3]triazolo[4,5-b]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine (CID 86575029) is 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3cc4ccccc4s3)c2)cc1.
What is the InChIKey of 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
The InChIKey is SPEVIBZTFOKWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2S/c28-22-13-11-18(12-14-22)26-27(30-15-4-3-10-25(30)29-26)21-8-5-7-19(16-21)24-17-20-6-1-2-9-23(20)31-24/h1-17H.
What are the key properties of 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine?
3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine has a molecular weight of 420.51 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 86575029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).