2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine

C27H24N2S — CID 71699384

IUPAC2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C27H24N2S/c1-27(2,3)26-25(21-11-7-10-20(16-21)19-8-5-4-6-9-19)29-17-22(12-13-24(29)28-26)23-14-15-30-18-23/h4-18H,1-3H3
InChIKeyLNUIYSJUTYSLPH-UHFFFAOYSA-N
MW408.57 g/mol
LogP7.69
Rot. Bonds3

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

2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine (PubChem CID 71699384) has the molecular formula C27H24N2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
PubChem CID71699384
Molecular FormulaC27H24N2S
Molecular Weight408.57 g/mol
Exact Mass408.17
IUPAC Name2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C27H24N2S/c1-27(2,3)26-25(21-11-7-10-20(16-21)19-8-5-4-6-9-19)29-17-22(12-13-24(29)28-26)23-14-15-30-18-23/h4-18H,1-3H3
InChIKeyLNUIYSJUTYSLPH-UHFFFAOYSA-N
XLogP7.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine (CID 71699384) is 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine is CC(C)(C)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The InChIKey is LNUIYSJUTYSLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2S/c1-27(2,3)26-25(21-11-7-10-20(16-21)19-8-5-4-6-9-19)29-17-22(12-13-24(29)28-26)23-14-15-30-18-23/h4-18H,1-3H3.
What are the key properties of 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine has a molecular weight of 408.57 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 2-tert-butyl-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 71699384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).