About trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane (PubChem CID 162712956) has the molecular formula C35H39N3O2Si
and a molecular weight of 561.80 g/mol. Its IUPAC name is trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane.
Molecular Properties
| Compound Name | trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane |
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| PubChem CID | 162712956 |
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| Molecular Formula | C35H39N3O2Si |
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| Molecular Weight | 561.80 g/mol |
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| Exact Mass | 561.28 |
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| IUPAC Name | trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane |
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| SMILES | C[Si](C)(C)CCOCn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(-c3ccccc3)ccc21 |
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| InChI | InChI=1S/C35H39N3O2Si/c1-41(2,3)21-20-39-26-38-34-17-15-30(28-12-8-5-9-13-28)23-33(34)36-35(38)37-19-18-29-14-16-32(22-31(29)24-37)40-25-27-10-6-4-7-11-27/h4-17,22-23H,18-21,24-26H2,1-3H3 |
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| InChIKey | LIPNTSLMPAJTMZ-UHFFFAOYSA-N |
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| XLogP | 8.16 |
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| TPSA | 39.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 561.80 |
| LogP ≤ 5 | 8.16 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane (CID 162712956) is trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(-c3ccccc3)ccc21.
What is the InChIKey of trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is LIPNTSLMPAJTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N3O2Si/c1-41(2,3)21-20-39-26-38-34-17-15-30(28-12-8-5-9-13-28)23-33(34)36-35(38)37-19-18-29-14-16-32(22-31(29)24-37)40-25-27-10-6-4-7-11-27/h4-17,22-23H,18-21,24-26H2,1-3H3.
What are the key properties of trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 561.80 g/mol, XLogP of 8.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 162712956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).