methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate

C15H22N2O3Si — CID 140802943

IUPACmethyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C15H22N2O3Si/c1-19-15(18)12-5-6-14-13(9-12)16-10-17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyFEPGRSFOMBLOKX-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.14
Rot. Bonds6

About methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate

methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate (PubChem CID 140802943) has the molecular formula C15H22N2O3Si and a molecular weight of 306.44 g/mol. Its IUPAC name is methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
PubChem CID140802943
Molecular FormulaC15H22N2O3Si
Molecular Weight306.44 g/mol
Exact Mass306.14
IUPAC Namemethyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)ncn2COCC[Si](C)(C)C
InChIInChI=1S/C15H22N2O3Si/c1-19-15(18)12-5-6-14-13(9-12)16-10-17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyFEPGRSFOMBLOKX-UHFFFAOYSA-N
XLogP3.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
methyl 1-(1,3-thiazol-5-ylmethyl)benzimidazole-5-carboxylate
CID 141395976
4,4,4-trifluoro-N-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]butanamide
CID 175873640
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
methyl 6-[3-(cyclopropylamino)-2-methoxycarbonylphenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 174079077
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
methyl 2-[6-chloro-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 68680030
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
methyl 4-amino-3-[4-amino-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]benzoate
CID 171630161

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate (CID 140802943) is methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)ncn2COCC[Si](C)(C)C.
What is the InChIKey of methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate?
The InChIKey is FEPGRSFOMBLOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3Si/c1-19-15(18)12-5-6-14-13(9-12)16-10-17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate?
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate has a molecular weight of 306.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 140802943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).