ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate

C18H25ClN2O3Si — CID 156643880

IUPACethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(Cl)c2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C18H25ClN2O3Si/c1-5-24-18(22)17-20-16(14-7-6-8-15(19)11-14)12-21(17)13-23-9-10-25(2,3)4/h6-8,11-12H,5,9-10,13H2,1-4H3
InChIKeyVVAJBFBZLZYMCJ-UHFFFAOYSA-N
MW380.95 g/mol
LogP4.69
Rot. Bonds8

About ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate

ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate (PubChem CID 156643880) has the molecular formula C18H25ClN2O3Si and a molecular weight of 380.95 g/mol. Its IUPAC name is ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
PubChem CID156643880
Molecular FormulaC18H25ClN2O3Si
Molecular Weight380.95 g/mol
Exact Mass380.13
IUPAC Nameethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccc(Cl)c2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C18H25ClN2O3Si/c1-5-24-18(22)17-20-16(14-7-6-8-15(19)11-14)12-21(17)13-23-9-10-25(2,3)4/h6-8,11-12H,5,9-10,13H2,1-4H3
InChIKeyVVAJBFBZLZYMCJ-UHFFFAOYSA-N
XLogP4.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.95
LogP ≤ 54.69
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'}

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Related Compounds

1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-benzylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate;ethyl 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 159076579
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 174493446
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199
ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
ethyl 3-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole-5-carboxylate
CID 142530134
ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
ethyl 5-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986808
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The IUPAC name of ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate (CID 156643880) is ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The canonical SMILES for ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate is CCOC(=O)c1nc(-c2cccc(Cl)c2)cn1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The InChIKey is VVAJBFBZLZYMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3Si/c1-5-24-18(22)17-20-16(14-7-6-8-15(19)11-14)12-21(17)13-23-9-10-25(2,3)4/h6-8,11-12H,5,9-10,13H2,1-4H3.
What are the key properties of ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate has a molecular weight of 380.95 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate is sourced from PubChem (CID 156643880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).