7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one

C26H29N5O3Si — CID 58577646

About 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one

7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58577646) has the molecular formula C26H29N5O3Si and a molecular weight of 487.64 g/mol. Its IUPAC name is 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 58577646
• Molecular Formula: C26H29N5O3Si
• Molecular Weight: 487.64 g/mol
• Exact Mass: 487.20
• IUPAC Name: 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
• SMILES: Cc1ccnc2c1[nH]c(=O)n2-c1ccc(Oc2nc3ccccc3n2COCC[Si](C)(C)C)cc1
• InChI: InChI=1S/C26H29N5O3Si/c1-18-13-14-27-24-23(18)29-25(32)31(24)19-9-11-20(12-10-19)34-26-28-21-7-5-6-8-22(21)30(26)17-33-15-16-35(2,3)4/h5-14H,15-17H2,1-4H3,(H,29,32)
• InChIKey: UUWXGFOBWKFAQE-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 86.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.64
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one (CID 58577646) is 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one is Cc1ccnc2c1[nH]c(=O)n2-c1ccc(Oc2nc3ccccc3n2COCC[Si](C)(C)C)cc1.

What is the InChIKey of 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is UUWXGFOBWKFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3Si/c1-18-13-14-27-24-23(18)29-25(32)31(24)19-9-11-20(12-10-19)34-26-28-21-7-5-6-8-22(21)30(26)17-33-15-16-35(2,3)4/h5-14H,15-17H2,1-4H3,(H,29,32).

What are the key properties of 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one?

7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 487.64 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58577646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).