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

C46H38N4O — CID 140865377

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

5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol (PubChem CID 140865377) has the molecular formula C46H38N4O and a molecular weight of 662.84 g/mol. Its IUPAC name is 5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol.

Molecular Properties

• Compound Name: 5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
• PubChem CID: 140865377
• Molecular Formula: C46H38N4O
• Molecular Weight: 662.84 g/mol
• Exact Mass: 662.30
• IUPAC Name: 5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
• SMILES: Cc1cnc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cnc3O)n4-c3ccccc3)c2)cc1-c1ccccc1
• InChI: InChI=1S/C46H38N4O/c1-30-28-47-41(27-39(30)32-17-10-6-11-18-32)35-24-33(31-15-8-5-9-16-31)23-34(25-35)38-21-14-22-42-43(38)49-44(50(42)37-19-12-7-13-20-37)40-26-36(46(2,3)4)29-48-45(40)51/h5-29H,1-4H3,(H,48,51)
• InChIKey: GNCDNENURWVUCZ-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.84
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol (CID 140865377) is 5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol.

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

The canonical SMILES for 5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol is Cc1cnc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cnc3O)n4-c3ccccc3)c2)cc1-c1ccccc1.

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

The InChIKey is GNCDNENURWVUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N4O/c1-30-28-47-41(27-39(30)32-17-10-6-11-18-32)35-24-33(31-15-8-5-9-16-31)23-34(25-35)38-21-14-22-42-43(38)49-44(50(42)37-19-12-7-13-20-37)40-26-36(46(2,3)4)29-48-45(40)51/h5-29H,1-4H3,(H,48,51).

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

5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol has a molecular weight of 662.84 g/mol, XLogP of 11.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol is sourced from PubChem (CID 140865377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).