2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

C14H21BrN2O2Si — CID 172631194

IUPAC2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc2ncn(COCC[Si](C)(C)C)c2cc1Br
InChIInChI=1S/C14H21BrN2O2Si/c1-18-14-8-12-13(7-11(14)15)17(9-16-12)10-19-5-6-20(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyNJKHDTFUIWWVQW-UHFFFAOYSA-N
MW357.32 g/mol
LogP4.12
Rot. Bonds6

About 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 172631194) has the molecular formula C14H21BrN2O2Si and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID172631194
Molecular FormulaC14H21BrN2O2Si
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1cc2ncn(COCC[Si](C)(C)C)c2cc1Br
InChIInChI=1S/C14H21BrN2O2Si/c1-18-14-8-12-13(7-11(14)15)17(9-16-12)10-19-5-6-20(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyNJKHDTFUIWWVQW-UHFFFAOYSA-N
XLogP4.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
5,6-dimethoxy-1-(propoxymethyl)benzimidazole
CID 66599858
2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167374733
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095
6-bromo-1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazole
CID 90415326
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[[4-(2-bromo-4-chloro-5-methoxyphenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 169030760
2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 154675122

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 172631194) is 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is COc1cc2ncn(COCC[Si](C)(C)C)c2cc1Br.
What is the InChIKey of 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is NJKHDTFUIWWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2Si/c1-18-14-8-12-13(7-11(14)15)17(9-16-12)10-19-5-6-20(2,3)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 357.32 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 172631194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).