7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid

C16H24N2O4Si — CID 171799512

IUPAC7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid
SMILESCOCc1cc(C(=O)O)cc2c1ncn2COCC[Si](C)(C)C
InChIInChI=1S/C16H24N2O4Si/c1-21-9-13-7-12(16(19)20)8-14-15(13)17-10-18(14)11-22-5-6-23(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,20)
InChIKeyVNOMVGARJXQQEV-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.19
Rot. Bonds8

About 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid

7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid (PubChem CID 171799512) has the molecular formula C16H24N2O4Si and a molecular weight of 336.46 g/mol. Its IUPAC name is 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid
PubChem CID171799512
Molecular FormulaC16H24N2O4Si
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid
SMILESCOCc1cc(C(=O)O)cc2c1ncn2COCC[Si](C)(C)C
InChIInChI=1S/C16H24N2O4Si/c1-21-9-13-7-12(16(19)20)8-14-15(13)17-10-18(14)11-22-5-6-23(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,20)
InChIKeyVNOMVGARJXQQEV-UHFFFAOYSA-N
XLogP3.19
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 175811837
N-(4-fluoro-3-methoxyphenyl)-7-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxamide
CID 171799542
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
1-ethyl-4-(2-trimethylsilylethoxymethoxy)indole-6-carboxylic acid
CID 22742897
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridine-4-carboxylic acid
CID 154665027
1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride
CID 155711383

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid (CID 171799512) is 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid is COCc1cc(C(=O)O)cc2c1ncn2COCC[Si](C)(C)C.
What is the InChIKey of 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid?
The InChIKey is VNOMVGARJXQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4Si/c1-21-9-13-7-12(16(19)20)8-14-15(13)17-10-18(14)11-22-5-6-23(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,20).
What are the key properties of 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid?
7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid has a molecular weight of 336.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 171799512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).