2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C22H37BN2O4Si — CID 177353725

IUPAC2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCO[C@H](C)c1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C22H37BN2O4Si/c1-16(26-6)20-24-18-14-17(23-28-21(2,3)22(4,5)29-23)10-11-19(18)25(20)15-27-12-13-30(7,8)9/h10-11,14,16H,12-13,15H2,1-9H3/t16-/m1/s1
InChIKeyITKKSEAUPNBPQS-MRXNPFEDSA-N
MW432.45 g/mol
LogP4.36
Rot. Bonds8

About 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 177353725) has the molecular formula C22H37BN2O4Si and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID177353725
Molecular FormulaC22H37BN2O4Si
Molecular Weight432.45 g/mol
Exact Mass432.26
IUPAC Name2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCO[C@H](C)c1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C22H37BN2O4Si/c1-16(26-6)20-24-18-14-17(23-28-21(2,3)22(4,5)29-23)10-11-19(18)25(20)15-27-12-13-30(7,8)9/h10-11,14,16H,12-13,15H2,1-9H3/t16-/m1/s1
InChIKeyITKKSEAUPNBPQS-MRXNPFEDSA-N
XLogP4.36
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[[2-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 56850686
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 170994474
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
CID 169114168
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-bis(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 175715318
2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163251863
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(2-trimethylsilylethoxymethyl)tetrazol-5-one
CID 131734179
2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163233343
2-[[3-(6,7-dihydro-1H-benzimidazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 135718579
2-[3-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90027429
2-[[5-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251062
2-[[7-(1-benzothiophen-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 66791287

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 177353725) is 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is CO[C@H](C)c1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ITKKSEAUPNBPQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H37BN2O4Si/c1-16(26-6)20-24-18-14-17(23-28-21(2,3)22(4,5)29-23)10-11-19(18)25(20)15-27-12-13-30(7,8)9/h10-11,14,16H,12-13,15H2,1-9H3/t16-/m1/s1.
What are the key properties of 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 432.45 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1R)-1-methoxyethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 177353725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).