2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C25H35BrN4OSi — CID 154620168

About 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 154620168) has the molecular formula C25H35BrN4OSi and a molecular weight of 515.57 g/mol. Its IUPAC name is 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 154620168
• Molecular Formula: C25H35BrN4OSi
• Molecular Weight: 515.57 g/mol
• Exact Mass: 514.18
• IUPAC Name: 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(Br)c3n2COCC[Si](C)(C)C)N1C
• InChI: InChI=1S/C25H35BrN4OSi/c1-18-9-8-14-27-23(18)21-12-7-13-22(29(21)2)25-28-20-11-6-10-19(26)24(20)30(25)17-31-15-16-32(3,4)5/h6,8-11,14,21-22H,7,12-13,15-17H2,1-5H3/t21-,22+/m0/s1
• InChIKey: PNLGEVPOYIXXLH-FCHUYYIVSA-N
• XLogP: 6.71
• TPSA: 43.18 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.57
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 154620168) is 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(Br)c3n2COCC[Si](C)(C)C)N1C.

What is the InChIKey of 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is PNLGEVPOYIXXLH-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H35BrN4OSi/c1-18-9-8-14-27-23(18)21-12-7-13-22(29(21)2)25-28-20-11-6-10-19(26)24(20)30(25)17-31-15-16-32(3,4)5/h6,8-11,14,21-22H,7,12-13,15-17H2,1-5H3/t21-,22+/m0/s1.

What are the key properties of 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 515.57 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 154620168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).