3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one

C32H34N4O — CID 140865251

About 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one

3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one (PubChem CID 140865251) has the molecular formula C32H34N4O and a molecular weight of 490.65 g/mol. Its IUPAC name is 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one
• PubChem CID: 140865251
• Molecular Formula: C32H34N4O
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.27
• IUPAC Name: 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one
• SMILES: CC(C)Cc1cc(-c2ccccn2)cc(-c2cccc3c2nc(-c2c[nH]cc(C(C)(C)C)c2=O)n3C)c1
• InChI: InChI=1S/C32H34N4O/c1-20(2)14-21-15-22(17-23(16-21)27-11-7-8-13-34-27)24-10-9-12-28-29(24)35-31(36(28)6)25-18-33-19-26(30(25)37)32(3,4)5/h7-13,15-20H,14H2,1-6H3,(H,33,37)
• InChIKey: QJZILWIQKDRBND-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one?

The IUPAC name of 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one (CID 140865251) is 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one.

What is the SMILES notation for 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one?

The canonical SMILES for 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one is CC(C)Cc1cc(-c2ccccn2)cc(-c2cccc3c2nc(-c2c[nH]cc(C(C)(C)C)c2=O)n3C)c1.

What is the InChIKey of 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one?

The InChIKey is QJZILWIQKDRBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O/c1-20(2)14-21-15-22(17-23(16-21)27-11-7-8-13-34-27)24-10-9-12-28-29(24)35-31(36(28)6)25-18-33-19-26(30(25)37)32(3,4)5/h7-13,15-20H,14H2,1-6H3,(H,33,37).

What are the key properties of 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one?

3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one has a molecular weight of 490.65 g/mol, XLogP of 7.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-5-[1-methyl-4-[3-(2-methylpropyl)-5-pyridin-2-ylphenyl]benzimidazol-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 140865251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).