2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol

C45H43N3O — CID 140868588

About 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol

2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol (PubChem CID 140868588) has the molecular formula C45H43N3O and a molecular weight of 641.86 g/mol. Its IUPAC name is 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol.

Molecular Properties

• Compound Name: 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol
• PubChem CID: 140868588
• Molecular Formula: C45H43N3O
• Molecular Weight: 641.86 g/mol
• Exact Mass: 641.34
• IUPAC Name: 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol
• SMILES: Cc1c(-c2cc(CC(C)C)cc(CC(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccn12
• InChI: InChI=1S/C45H43N3O/c1-29(2)21-32-23-39(22-30(3)4)44(49)41(24-32)43-31(5)48-20-12-17-40(45(48)47-43)37-25-36(34-15-10-7-11-16-34)26-38(27-37)42-28-35(18-19-46-42)33-13-8-6-9-14-33/h6-20,23-30,49H,21-22H2,1-5H3
• InChIKey: SVKNQRQPPARPTJ-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 50.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.86
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol?

The IUPAC name of 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol (CID 140868588) is 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol.

What is the SMILES notation for 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol?

The canonical SMILES for 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol is Cc1c(-c2cc(CC(C)C)cc(CC(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)ccn4)c3)cccn12.

What is the InChIKey of 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol?

The InChIKey is SVKNQRQPPARPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43N3O/c1-29(2)21-32-23-39(22-30(3)4)44(49)41(24-32)43-31(5)48-20-12-17-40(45(48)47-43)37-25-36(34-15-10-7-11-16-34)26-38(27-37)42-28-35(18-19-46-42)33-13-8-6-9-14-33/h6-20,23-30,49H,21-22H2,1-5H3.

What are the key properties of 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol?

2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol has a molecular weight of 641.86 g/mol, XLogP of 11.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-8-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-4,6-bis(2-methylpropyl)phenol is sourced from PubChem (CID 140868588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).