2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine

C25H27N3O — CID 67489996

IUPAC2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)Cc1ccc(OC(C)C)cc1-c1nc2ncc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C25H27N3O/c1-16(2)12-19-10-11-21(29-17(3)4)14-22(19)24-27-23-13-20(15-26-25(23)28-24)18-8-6-5-7-9-18/h5-11,13-17H,12H2,1-4H3,(H,26,27,28)
InChIKeyPQIOTNIDFNBZLB-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.28
Rot. Bonds6

About 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine

2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine (PubChem CID 67489996) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
PubChem CID67489996
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine
SMILESCC(C)Cc1ccc(OC(C)C)cc1-c1nc2ncc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C25H27N3O/c1-16(2)12-19-10-11-21(29-17(3)4)14-22(19)24-27-23-13-20(15-26-25(23)28-24)18-8-6-5-7-9-18/h5-11,13-17H,12H2,1-4H3,(H,26,27,28)
InChIKeyPQIOTNIDFNBZLB-UHFFFAOYSA-N
XLogP6.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine (CID 67489996) is 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine is CC(C)Cc1ccc(OC(C)C)cc1-c1nc2ncc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is PQIOTNIDFNBZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-16(2)12-19-10-11-21(29-17(3)4)14-22(19)24-27-23-13-20(15-26-25(23)28-24)18-8-6-5-7-9-18/h5-11,13-17H,12H2,1-4H3,(H,26,27,28).
What are the key properties of 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine?
2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 385.51 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-5-propan-2-yloxyphenyl]-6-phenyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 67489996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).