2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol

C36H42N4O — CID 140864101

About 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol

2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 140864101) has the molecular formula C36H42N4O and a molecular weight of 546.76 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
• PubChem CID: 140864101
• Molecular Formula: C36H42N4O
• Molecular Weight: 546.76 g/mol
• Exact Mass: 546.34
• IUPAC Name: 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
• SMILES: CC(C)Cc1cc(-c2ccccn2)cc(-c2cncc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3C)c1
• InChI: InChI=1S/C36H42N4O/c1-22(2)14-23-15-24(17-25(16-23)30-12-10-11-13-38-30)28-20-37-21-31-32(28)39-34(40(31)9)27-18-26(35(3,4)5)19-29(33(27)41)36(6,7)8/h10-13,15-22,41H,14H2,1-9H3
• InChIKey: TVFZPBAMEDRTGM-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.76
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol (CID 140864101) is 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol is CC(C)Cc1cc(-c2ccccn2)cc(-c2cncc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3C)c1.

What is the InChIKey of 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

The InChIKey is TVFZPBAMEDRTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N4O/c1-22(2)14-23-15-24(17-25(16-23)30-12-10-11-13-38-30)28-20-37-21-31-32(28)39-34(40(31)9)27-18-26(35(3,4)5)19-29(33(27)41)36(6,7)8/h10-13,15-22,41H,14H2,1-9H3.

What are the key properties of 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 546.76 g/mol, XLogP of 8.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[3-methyl-7-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 140864101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).