5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid

C22H26N2O4Si — CID 162469151

IUPAC5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILESC[Si](C)(C)CCOCn1c(-c2cccc(Oc3ccccc3)c2)cnc1C(=O)O
InChIInChI=1S/C22H26N2O4Si/c1-29(2,3)13-12-27-16-24-20(15-23-21(24)22(25)26)17-8-7-11-19(14-17)28-18-9-5-4-6-10-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,25,26)
InChIKeyLXYBJGUMLJXNDU-UHFFFAOYSA-N
MW410.55 g/mol
LogP5.35
Rot. Bonds9

About 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid

5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (PubChem CID 162469151) has the molecular formula C22H26N2O4Si and a molecular weight of 410.55 g/mol. Its IUPAC name is 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
PubChem CID162469151
Molecular FormulaC22H26N2O4Si
Molecular Weight410.55 g/mol
Exact Mass410.17
IUPAC Name5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
SMILESC[Si](C)(C)CCOCn1c(-c2cccc(Oc3ccccc3)c2)cnc1C(=O)O
InChIInChI=1S/C22H26N2O4Si/c1-29(2,3)13-12-27-16-24-20(15-23-21(24)22(25)26)17-8-7-11-19(14-17)28-18-9-5-4-6-10-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,25,26)
InChIKeyLXYBJGUMLJXNDU-UHFFFAOYSA-N
XLogP5.35
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.35
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The IUPAC name of 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid (CID 162469151) is 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The canonical SMILES for 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is C[Si](C)(C)CCOCn1c(-c2cccc(Oc3ccccc3)c2)cnc1C(=O)O.
What is the InChIKey of 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
The InChIKey is LXYBJGUMLJXNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4Si/c1-29(2,3)13-12-27-16-24-20(15-23-21(24)22(25)26)17-8-7-11-19(14-17)28-18-9-5-4-6-10-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,25,26).
What are the key properties of 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid?
5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid has a molecular weight of 410.55 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid is sourced from PubChem (CID 162469151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).