tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane

C21H33ClN2OSi2 — CID 155723207

IUPACtert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#Cc1nc2cc(Cl)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C21H33ClN2OSi2/c1-21(2,3)27(7,8)13-11-20-23-18-15-17(22)9-10-19(18)24(20)16-25-12-14-26(4,5)6/h9-10,15H,12,14,16H2,1-8H3
InChIKeyIMWQPHSCUSMVRD-UHFFFAOYSA-N
MW421.13 g/mol
LogP6.40
Rot. Bonds5

About tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane

tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane (PubChem CID 155723207) has the molecular formula C21H33ClN2OSi2 and a molecular weight of 421.13 g/mol. Its IUPAC name is tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane
PubChem CID155723207
Molecular FormulaC21H33ClN2OSi2
Molecular Weight421.13 g/mol
Exact Mass420.18
IUPAC Nametert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#Cc1nc2cc(Cl)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C21H33ClN2OSi2/c1-21(2,3)27(7,8)13-11-20-23-18-15-17(22)9-10-19(18)24(20)16-25-12-14-26(4,5)6/h9-10,15H,12,14,16H2,1-8H3
InChIKeyIMWQPHSCUSMVRD-UHFFFAOYSA-N
XLogP6.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.13
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
1-[5-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethanone
CID 22477945
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
CID 22477777
2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
CID 71497150
tert-butyl 2-[1-[5-(2-amino-5-chlorophenyl)-2-pyridinyl]-2-phenylethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140807224
4-[5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]butan-1-ol
CID 86705759
trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
CID 59539148
1-(2-adamantyl)-3-[2-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]propan-2-one;1-(2-adamantyl)-3-[2-chloro-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]propan-2-one
CID 165086081
2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane
CID 159759236
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane (CID 155723207) is tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane is CC(C)(C)[Si](C)(C)C#Cc1nc2cc(Cl)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane?
The InChIKey is IMWQPHSCUSMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33ClN2OSi2/c1-21(2,3)27(7,8)13-11-20-23-18-15-17(22)9-10-19(18)24(20)16-25-12-14-26(4,5)6/h9-10,15H,12,14,16H2,1-8H3.
What are the key properties of tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane?
tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane has a molecular weight of 421.13 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[5-chloro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]ethynyl]-dimethylsilane is sourced from PubChem (CID 155723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).