4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide

C27H35N5O2Si — CID 68661327

About 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide

4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide (PubChem CID 68661327) has the molecular formula C27H35N5O2Si and a molecular weight of 489.70 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
• PubChem CID: 68661327
• Molecular Formula: C27H35N5O2Si
• Molecular Weight: 489.70 g/mol
• Exact Mass: 489.26
• IUPAC Name: 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
• SMILES: CC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1
• InChI: InChI=1S/C27H35N5O2Si/c1-26(2,3)35(6,7)34-18-27(4,5)21-10-8-20(9-11-21)25(33)30-23-17-32-16-22(12-13-24(32)29-23)31-15-14-28-19-31/h8-17,19H,18H2,1-7H3,(H,30,33)
• InChIKey: FQLKTRDBWZTZLS-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.70
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?

The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide (CID 68661327) is 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide.

What is the SMILES notation for 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?

The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide is CC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.

What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?

The InChIKey is FQLKTRDBWZTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2Si/c1-26(2,3)35(6,7)34-18-27(4,5)21-10-8-20(9-11-21)25(33)30-23-17-32-16-22(12-13-24(32)29-23)31-15-14-28-19-31/h8-17,19H,18H2,1-7H3,(H,30,33).

What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide?

4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide has a molecular weight of 489.70 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide is sourced from PubChem (CID 68661327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).