[(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane

C18H27BrN2OSi — CID 46177107

IUPAC[(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane
SMILESCc1nc2ccccc2n1/C(=C\Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27BrN2OSi/c1-14-20-16-9-7-8-10-17(16)21(14)15(13-19)11-12-22-23(5,6)18(2,3)4/h7-10,13H,11-12H2,1-6H3/b15-13-
InChIKeyVTTAPKKWMOZHRL-SQFISAMPSA-N
MW395.42 g/mol
LogP5.95
Rot. Bonds5

About [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane

[(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 46177107) has the molecular formula C18H27BrN2OSi and a molecular weight of 395.42 g/mol. Its IUPAC name is [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID46177107
Molecular FormulaC18H27BrN2OSi
Molecular Weight395.42 g/mol
Exact Mass394.11
IUPAC Name[(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane
SMILESCc1nc2ccccc2n1/C(=C\Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27BrN2OSi/c1-14-20-16-9-7-8-10-17(16)21(14)15(13-19)11-12-22-23(5,6)18(2,3)4/h7-10,13H,11-12H2,1-6H3/b15-13-
InChIKeyVTTAPKKWMOZHRL-SQFISAMPSA-N
XLogP5.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzimidazole-2-carbaldehyde
CID 15072145
2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate
CID 67187186
(E)-N-butoxy-3-methyl-1-(2-methylbenzimidazol-1-yl)hex-2-en-1-imine
CID 173401771
methyl (2E)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 101432797
methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride
CID 122182169
2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
CID 140825038
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
CID 64994591
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane (CID 46177107) is [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane is Cc1nc2ccccc2n1/C(=C\Br)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is VTTAPKKWMOZHRL-SQFISAMPSA-N. The full InChI is InChI=1S/C18H27BrN2OSi/c1-14-20-16-9-7-8-10-17(16)21(14)15(13-19)11-12-22-23(5,6)18(2,3)4/h7-10,13H,11-12H2,1-6H3/b15-13-.
What are the key properties of [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane?
[(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 395.42 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromo-3-(2-methylbenzimidazol-1-yl)but-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 46177107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).