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

C30H22N2OS — CID 71699389

IUPAC2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22N2OS/c1-33-27-13-10-22(11-14-27)29-30(24-9-5-8-23(18-24)21-6-3-2-4-7-21)32-19-25(12-15-28(32)31-29)26-16-17-34-20-26/h2-20H,1H3
InChIKeyFGPMMWOXHIQWLU-UHFFFAOYSA-N
MW458.59 g/mol
LogP8.07
Rot. Bonds5

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

2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine (PubChem CID 71699389) has the molecular formula C30H22N2OS and a molecular weight of 458.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
PubChem CID71699389
Molecular FormulaC30H22N2OS
Molecular Weight458.59 g/mol
Exact Mass458.15
IUPAC Name2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22N2OS/c1-33-27-13-10-22(11-14-27)29-30(24-9-5-8-23(18-24)21-6-3-2-4-7-21)32-19-25(12-15-28(32)31-29)26-16-17-34-20-26/h2-20H,1H3
InChIKeyFGPMMWOXHIQWLU-UHFFFAOYSA-N
XLogP8.07
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine (CID 71699389) is 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(-c4ccsc4)cn3c2-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
The InChIKey is FGPMMWOXHIQWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2OS/c1-33-27-13-10-22(11-14-27)29-30(24-9-5-8-23(18-24)21-6-3-2-4-7-21)32-19-25(12-15-28(32)31-29)26-16-17-34-20-26/h2-20H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine?
2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine has a molecular weight of 458.59 g/mol, XLogP of 8.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 71699389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).