2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol

C29H27N3O — CID 140868578

About 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol

2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 140868578) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol
• PubChem CID: 140868578
• Molecular Formula: C29H27N3O
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.22
• IUPAC Name: 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol
• SMILES: Cc1c(-c2ccccc2O)nc2c(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)cccn12
• InChI: InChI=1S/C29H27N3O/c1-19-27(24-10-5-6-13-26(24)33)31-28-23(11-9-15-32(19)28)20-16-21(25-12-7-8-14-30-25)18-22(17-20)29(2,3)4/h5-18,33H,1-4H3
• InChIKey: OQQNLZYSIMIZBO-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 50.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol?

The IUPAC name of 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol (CID 140868578) is 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol.

What is the SMILES notation for 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol?

The canonical SMILES for 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol is Cc1c(-c2ccccc2O)nc2c(-c3cc(-c4ccccn4)cc(C(C)(C)C)c3)cccn12.

What is the InChIKey of 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol?

The InChIKey is OQQNLZYSIMIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O/c1-19-27(24-10-5-6-13-26(24)33)31-28-23(11-9-15-32(19)28)20-16-21(25-12-7-8-14-30-25)18-22(17-20)29(2,3)4/h5-18,33H,1-4H3.

What are the key properties of 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol?

2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 433.56 g/mol, XLogP of 7.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 140868578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).