2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C28H39BrN2O3Si — CID 155752260

IUPAC2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2nc(C3CCC(COCc4ccccc4)CC3)n(COCC[Si](C)(C)C)c2cc1Br
InChIInChI=1S/C28H39BrN2O3Si/c1-32-27-17-25-26(16-24(27)29)31(20-33-14-15-35(2,3)4)28(30-25)23-12-10-22(11-13-23)19-34-18-21-8-6-5-7-9-21/h5-9,16-17,22-23H,10-15,18-20H2,1-4H3
InChIKeyBNNGFPGGGXEEGU-UHFFFAOYSA-N
MW559.62 g/mol
LogP7.61
Rot. Bonds11

About 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 155752260) has the molecular formula C28H39BrN2O3Si and a molecular weight of 559.62 g/mol. Its IUPAC name is 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID155752260
Molecular FormulaC28H39BrN2O3Si
Molecular Weight559.62 g/mol
Exact Mass558.19
IUPAC Name2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2nc(C3CCC(COCc4ccccc4)CC3)n(COCC[Si](C)(C)C)c2cc1Br
InChIInChI=1S/C28H39BrN2O3Si/c1-32-27-17-25-26(16-24(27)29)31(20-33-14-15-35(2,3)4)28(30-25)23-12-10-22(11-13-23)19-34-18-21-8-6-5-7-9-21/h5-9,16-17,22-23H,10-15,18-20H2,1-4H3
InChIKeyBNNGFPGGGXEEGU-UHFFFAOYSA-N
XLogP7.61
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.62
LogP ≤ 57.61
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

2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157058148
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-[(6-bromo-2-methyl-4-phenylmethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 46221162
methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate
CID 159644863
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
ethyl 6-bromo-2-[4-(phenylmethoxymethyl)cyclohexyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 164567258
5-bromo-4-methoxy-1-(2-trimethylsilylethoxymethyl)indole-2-carboxylic acid
CID 90181086
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
3-benzyl-8-cyclopentyl-1-propyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
CID 10528812
2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 57433530

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 155752260) is 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc2nc(C3CCC(COCc4ccccc4)CC3)n(COCC[Si](C)(C)C)c2cc1Br.
What is the InChIKey of 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BNNGFPGGGXEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39BrN2O3Si/c1-32-27-17-25-26(16-24(27)29)31(20-33-14-15-35(2,3)4)28(30-25)23-12-10-22(11-13-23)19-34-18-21-8-6-5-7-9-21/h5-9,16-17,22-23H,10-15,18-20H2,1-4H3.
What are the key properties of 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 559.62 g/mol, XLogP of 7.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 155752260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).