3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

C23H22N2O3S — CID 70024217

IUPAC3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2nc3ccccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-16(2)28-19-11-7-17(8-12-19)22-23(25-15-5-4-6-21(25)24-22)18-9-13-20(14-10-18)29(3,26)27/h4-16H,1-3H3
InChIKeyZWDGRLFZEYPOCN-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.86
Rot. Bonds5

About 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine

3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 70024217) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
PubChem CID70024217
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
SMILESCC(C)Oc1ccc(-c2nc3ccccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-16(2)28-19-11-7-17(8-12-19)22-23(25-15-5-4-6-21(25)24-22)18-9-13-20(14-10-18)29(3,26)27/h4-16H,1-3H3
InChIKeyZWDGRLFZEYPOCN-UHFFFAOYSA-N
XLogP4.86
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine (CID 70024217) is 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2nc3ccccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is ZWDGRLFZEYPOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16(2)28-19-11-7-17(8-12-19)22-23(25-15-5-4-6-21(25)24-22)18-9-13-20(14-10-18)29(3,26)27/h4-16H,1-3H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine?
3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 406.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 70024217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).