4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one

C16H25BrN2O2Si — CID 68503428

IUPAC4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
SMILESCCn1c(=O)n(COCC[Si](C)(C)C)c2c(CBr)cccc21
InChIInChI=1S/C16H25BrN2O2Si/c1-5-18-14-8-6-7-13(11-17)15(14)19(16(18)20)12-21-9-10-22(2,3)4/h6-8H,5,9-12H2,1-4H3
InChIKeyKGYQKHTWLKPSBK-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.03
Rot. Bonds7

About 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one

4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one (PubChem CID 68503428) has the molecular formula C16H25BrN2O2Si and a molecular weight of 385.38 g/mol. Its IUPAC name is 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
PubChem CID68503428
Molecular FormulaC16H25BrN2O2Si
Molecular Weight385.38 g/mol
Exact Mass384.09
IUPAC Name4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
SMILESCCn1c(=O)n(COCC[Si](C)(C)C)c2c(CBr)cccc21
InChIInChI=1S/C16H25BrN2O2Si/c1-5-18-14-8-6-7-13(11-17)15(14)19(16(18)20)12-21-9-10-22(2,3)4/h6-8H,5,9-12H2,1-4H3
InChIKeyKGYQKHTWLKPSBK-UHFFFAOYSA-N
XLogP4.03
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-bis(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 175715318
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
CID 10764648
6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 123772393
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
CID 58577628
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
2-[[4-[(2,4-difluorophenoxy)methyl]-2-ethylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157316827
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one
CID 171842684
[3-[3-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-yl]cyclobutyl]methyl 4-methylbenzenesulfonate
CID 169121092
trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one?
The IUPAC name of 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one (CID 68503428) is 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one?
The canonical SMILES for 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one is CCn1c(=O)n(COCC[Si](C)(C)C)c2c(CBr)cccc21.
What is the InChIKey of 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one?
The InChIKey is KGYQKHTWLKPSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2Si/c1-5-18-14-8-6-7-13(11-17)15(14)19(16(18)20)12-21-9-10-22(2,3)4/h6-8H,5,9-12H2,1-4H3.
What are the key properties of 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one?
4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one has a molecular weight of 385.38 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one is sourced from PubChem (CID 68503428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).