1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide

C52H62N6O6Si — CID 70245306

About 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide

1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide (PubChem CID 70245306) has the molecular formula C52H62N6O6Si and a molecular weight of 895.19 g/mol. Its IUPAC name is 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide
• PubChem CID: 70245306
• Molecular Formula: C52H62N6O6Si
• Molecular Weight: 895.19 g/mol
• Exact Mass: 894.45
• IUPAC Name: 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide
• SMILES: COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc12
• InChI: InChI=1S/C52H62N6O6Si/c1-37-25-28-44(46(34-37)63-33-16-10-15-24-48(59)58-31-29-56(5)30-32-58)57(6)51(61)38-26-27-41(45(35-38)62-7)50(60)54-43-23-17-22-42-49(43)55-47(53-42)36-64-65(52(2,3)4,39-18-11-8-12-19-39)40-20-13-9-14-21-40/h8-9,11-14,17-23,25-28,34-35H,10,15-16,24,29-33,36H2,1-7H3,(H,53,55)(H,54,60)
• InChIKey: CGRSSKPUUZOPSW-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 129.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.19
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide?

The IUPAC name of 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide (CID 70245306) is 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide.

What is the SMILES notation for 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide?

The canonical SMILES for 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide is COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc12.

What is the InChIKey of 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide?

The InChIKey is CGRSSKPUUZOPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H62N6O6Si/c1-37-25-28-44(46(34-37)63-33-16-10-15-24-48(59)58-31-29-56(5)30-32-58)57(6)51(61)38-26-27-41(45(35-38)62-7)50(60)54-43-23-17-22-42-49(43)55-47(53-42)36-64-65(52(2,3)4,39-18-11-8-12-19-39)40-20-13-9-14-21-40/h8-9,11-14,17-23,25-28,34-35H,10,15-16,24,29-33,36H2,1-7H3,(H,53,55)(H,54,60).

What are the key properties of 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide?

1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 895.19 g/mol, XLogP of 8.20, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazol-4-yl]-2-methoxy-4-N-methyl-4-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 70245306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).