4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde

C17H24N2O2Si — CID 22018699

IUPAC4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
SMILESCc1nc(C=O)n(COCC[Si](C)(C)C)c1-c1ccccc1
InChIInChI=1S/C17H24N2O2Si/c1-14-17(15-8-6-5-7-9-15)19(16(12-20)18-14)13-21-10-11-22(2,3)4/h5-9,12H,10-11,13H2,1-4H3
InChIKeyCATUNBZMZGUKQS-UHFFFAOYSA-N
MW316.48 g/mol
LogP3.98
Rot. Bonds7

About 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde

4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde (PubChem CID 22018699) has the molecular formula C17H24N2O2Si and a molecular weight of 316.48 g/mol. Its IUPAC name is 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
PubChem CID22018699
Molecular FormulaC17H24N2O2Si
Molecular Weight316.48 g/mol
Exact Mass316.16
IUPAC Name4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
SMILESCc1nc(C=O)n(COCC[Si](C)(C)C)c1-c1ccccc1
InChIInChI=1S/C17H24N2O2Si/c1-14-17(15-8-6-5-7-9-15)19(16(12-20)18-14)13-21-10-11-22(2,3)4/h5-9,12H,10-11,13H2,1-4H3
InChIKeyCATUNBZMZGUKQS-UHFFFAOYSA-N
XLogP3.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The IUPAC name of 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde (CID 22018699) is 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde is Cc1nc(C=O)n(COCC[Si](C)(C)C)c1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The InChIKey is CATUNBZMZGUKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2Si/c1-14-17(15-8-6-5-7-9-15)19(16(12-20)18-14)13-21-10-11-22(2,3)4/h5-9,12H,10-11,13H2,1-4H3.
What are the key properties of 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde has a molecular weight of 316.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 22018699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).