5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol

C41H36N4O — CID 140864201

About 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol

5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol (PubChem CID 140864201) has the molecular formula C41H36N4O and a molecular weight of 600.77 g/mol. Its IUPAC name is 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol.

Molecular Properties

• Compound Name: 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
• PubChem CID: 140864201
• Molecular Formula: C41H36N4O
• Molecular Weight: 600.77 g/mol
• Exact Mass: 600.29
• IUPAC Name: 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
• SMILES: Cc1cnc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cnc3O)n4C)c2)cc1-c1ccccc1
• InChI: InChI=1S/C41H36N4O/c1-26-24-42-36(23-34(26)28-15-10-7-11-16-28)31-20-29(27-13-8-6-9-14-27)19-30(21-31)33-17-12-18-37-38(33)44-39(45(37)5)35-22-32(41(2,3)4)25-43-40(35)46/h6-25H,1-5H3,(H,43,46)
• InChIKey: LOJNDFQRBARAFQ-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.77
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol?

The IUPAC name of 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol (CID 140864201) is 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol.

What is the SMILES notation for 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol?

The canonical SMILES for 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol is Cc1cnc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cnc3O)n4C)c2)cc1-c1ccccc1.

What is the InChIKey of 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol?

The InChIKey is LOJNDFQRBARAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4O/c1-26-24-42-36(23-34(26)28-15-10-7-11-16-28)31-20-29(27-13-8-6-9-14-27)19-30(21-31)33-17-12-18-37-38(33)44-39(45(37)5)35-22-32(41(2,3)4)25-43-40(35)46/h6-25H,1-5H3,(H,43,46).

What are the key properties of 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol?

5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol has a molecular weight of 600.77 g/mol, XLogP of 10.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol is sourced from PubChem (CID 140864201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).