3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one

C33H30N4OSi — CID 140864719

About 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one

3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 140864719) has the molecular formula C33H30N4OSi and a molecular weight of 526.72 g/mol. Its IUPAC name is 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
• PubChem CID: 140864719
• Molecular Formula: C33H30N4OSi
• Molecular Weight: 526.72 g/mol
• Exact Mass: 526.22
• IUPAC Name: 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one
• SMILES: Cn1c(-c2ccc[nH]c2=O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc([Si](C)(C)C)cn4)c3)cccc21
• InChI: InChI=1S/C33H30N4OSi/c1-37-30-14-8-12-27(31(30)36-32(37)28-13-9-17-34-33(28)38)24-18-23(22-10-6-5-7-11-22)19-25(20-24)29-16-15-26(21-35-29)39(2,3)4/h5-21H,1-4H3,(H,34,38)
• InChIKey: YPLLKBQBLAOHRN-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.72
LogP ≤ 5	6.87
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 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?

The IUPAC name of 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one (CID 140864719) is 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one is Cn1c(-c2ccc[nH]c2=O)nc2c(-c3cc(-c4ccccc4)cc(-c4ccc([Si](C)(C)C)cn4)c3)cccc21.

What is the InChIKey of 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?

The InChIKey is YPLLKBQBLAOHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4OSi/c1-37-30-14-8-12-27(31(30)36-32(37)28-13-9-17-34-33(28)38)24-18-23(22-10-6-5-7-11-22)19-25(20-24)29-16-15-26(21-35-29)39(2,3)4/h5-21H,1-4H3,(H,34,38).

What are the key properties of 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one?

3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 526.72 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-methyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 140864719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).