2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C22H27ClN4O2Si — CID 167374733

About 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 167374733) has the molecular formula C22H27ClN4O2Si and a molecular weight of 443.02 g/mol. Its IUPAC name is 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 167374733
• Molecular Formula: C22H27ClN4O2Si
• Molecular Weight: 443.02 g/mol
• Exact Mass: 442.16
• IUPAC Name: 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1cc2c(cc1-c1cc3cc(Cl)ncc3n1C)ncn2COCC[Si](C)(C)C
• InChI: InChI=1S/C22H27ClN4O2Si/c1-26-18(8-15-9-22(23)24-12-20(15)26)16-10-17-19(11-21(16)28-2)27(13-25-17)14-29-6-7-30(3,4)5/h8-13H,6-7,14H2,1-5H3
• InChIKey: QPYKUWYBGZRZTN-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.02
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 167374733) is 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc2c(cc1-c1cc3cc(Cl)ncc3n1C)ncn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is QPYKUWYBGZRZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2Si/c1-26-18(8-15-9-22(23)24-12-20(15)26)16-10-17-19(11-21(16)28-2)27(13-25-17)14-29-6-7-30(3,4)5/h8-13H,6-7,14H2,1-5H3.

What are the key properties of 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 443.02 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167374733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).