[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane

C₂₉H₂₆N₂OSi — CID 168730895

About [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane

[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane (PubChem CID 168730895) has the molecular formula C₂₉H₂₆N₂OSi and a molecular weight of 448.64 g/mol. Its IUPAC name is [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane.

Molecular Properties

• Compound Name: [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
• PubChem CID: 168730895
• Molecular Formula: C₂₉H₂₆N₂OSi
• Molecular Weight: 448.64 g/mol
• Exact Mass: 448.19
• IUPAC Name: [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane
• SMILES: [2H]C([2H])(c1ccccc1-n1c(-c2cccc3c2oc2ccccc23)nc2ccccc21)[Si](C)(C)C
• InChI: InChI=1S/C29H26N2OSi/c1-33(2,3)19-20-11-4-7-16-25(20)31-26-17-8-6-15-24(26)30-29(31)23-14-10-13-22-21-12-5-9-18-27(21)32-28(22)23/h4-18H,19H2,1-3H3/i19D2
• InChIKey: YWMOONKCRFERAH-FKUWIZNHSA-N
• XLogP: 8.01
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.64
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?

The IUPAC name of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane (CID 168730895) is [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane.

What is the SMILES notation for [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?

The canonical SMILES for [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane is [2H]C([2H])(c1ccccc1-n1c(-c2cccc3c2oc2ccccc23)nc2ccccc21)[Si](C)(C)C.

What is the InChIKey of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?

The InChIKey is YWMOONKCRFERAH-FKUWIZNHSA-N. The full InChI is InChI=1S/C29H26N2OSi/c1-33(2,3)19-20-11-4-7-16-25(20)31-26-17-8-6-15-24(26)30-29(31)23-14-10-13-22-21-12-5-9-18-27(21)32-28(22)23/h4-18H,19H2,1-3H3/i19D2.

What are the key properties of [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane?

[dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane has a molecular weight of 448.64 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [dideuterio-[2-(2-dibenzofuran-4-ylbenzimidazol-1-yl)phenyl]methyl]-trimethylsilane is sourced from PubChem (CID 168730895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168730895 — identifiers, structure, computed properties (public domain)

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