2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol

C44H59N3OSi — CID 140931911

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol (PubChem CID 140931911) has the molecular formula C44H59N3OSi and a molecular weight of 674.06 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol
• PubChem CID: 140931911
• Molecular Formula: C44H59N3OSi
• Molecular Weight: 674.06 g/mol
• Exact Mass: 673.44
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol
• SMILES: CC(C)Cc1ccnc(-c2cc(-c3cc([Si](C)(C)C)cc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C44H59N3OSi/c1-27(2)18-28-16-17-45-37(19-28)30-20-29(21-31(22-30)42(3,4)5)34-25-33(49(13,14)15)26-38-39(34)46-41(47(38)12)35-23-32(43(6,7)8)24-36(40(35)48)44(9,10)11/h16-17,19-27,48H,18H2,1-15H3
• InChIKey: MJTINFFDAVVTED-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.06
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol (CID 140931911) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol is CC(C)Cc1ccnc(-c2cc(-c3cc([Si](C)(C)C)cc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4C)cc(C(C)(C)C)c2)c1.

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol?

The InChIKey is MJTINFFDAVVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H59N3OSi/c1-27(2)18-28-16-17-45-37(19-28)30-20-29(21-31(22-30)42(3,4)5)34-25-33(49(13,14)15)26-38-39(34)46-41(47(38)12)35-23-32(43(6,7)8)24-36(40(35)48)44(9,10)11/h16-17,19-27,48H,18H2,1-15H3.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol has a molecular weight of 674.06 g/mol, XLogP of 11.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2-methylpropyl)-2-pyridinyl]phenyl]-1-methyl-6-trimethylsilylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 140931911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).