trimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane

C35H39N3O2Si — CID 162712956

IUPACtrimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(-c3ccccc3)ccc21
InChIInChI=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
InChIKeyLIPNTSLMPAJTMZ-UHFFFAOYSA-N
MW561.80 g/mol
LogP8.16
Rot. Bonds10

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 Nametrimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
PubChem CID162712956
Molecular FormulaC35H39N3O2Si
Molecular Weight561.80 g/mol
Exact Mass561.28
IUPAC Nametrimethyl-[2-[[5-phenyl-2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1c(N2CCc3ccc(OCc4ccccc4)cc3C2)nc2cc(-c3ccccc3)ccc21
InChIInChI=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
InChIKeyLIPNTSLMPAJTMZ-UHFFFAOYSA-N
XLogP8.16
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.80
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-(1H-benzimidazol-2-yl)-7-phenylmethoxy-3,4-dihydro-1H-isoquinoline;2-chloro-1H-benzimidazole;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one;methane;7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;trimethyl-[2-[[2-(7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane;2-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-ol;5-[[2-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163839342
trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125
2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 46221162
1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
CID 170765439
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822876
2-[(2-bromo-5-phenylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 141389098
[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(4-phenylphenyl)propyl]carbamoyl 7-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 90932414
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
2-[[2-chloro-6-(3-phenylmethoxyphenyl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 58285270
2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid
CID 67338630
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368

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).