benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

C18H23N3O3Si — CID 140929543

IUPACbenzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESC[Si](C)(C)CCOCn1cc(C(=O)OCc2ccccc2)nc1C#N
InChIInChI=1S/C18H23N3O3Si/c1-25(2,3)10-9-23-14-21-12-16(20-17(21)11-19)18(22)24-13-15-7-5-4-6-8-15/h4-8,12H,9-10,13-14H2,1-3H3
InChIKeyUCPCABCSMQJRHG-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.42
Rot. Bonds8

About benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (PubChem CID 140929543) has the molecular formula C18H23N3O3Si and a molecular weight of 357.49 g/mol. Its IUPAC name is benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
PubChem CID140929543
Molecular FormulaC18H23N3O3Si
Molecular Weight357.49 g/mol
Exact Mass357.15
IUPAC Namebenzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESC[Si](C)(C)CCOCn1cc(C(=O)OCc2ccccc2)nc1C#N
InChIInChI=1S/C18H23N3O3Si/c1-25(2,3)10-9-23-14-21-12-16(20-17(21)11-19)18(22)24-13-15-7-5-4-6-8-15/h4-8,12H,9-10,13-14H2,1-3H3
InChIKeyUCPCABCSMQJRHG-UHFFFAOYSA-N
XLogP3.42
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
dibenzyl 1-methylimidazole-2,4-dicarboxylate
CID 139429649
benzyl 2-bromo-1-methylimidazole-4-carboxylate
CID 70980972
benzyl 3-benzyl-2-oxo-1,3-oxazole-5-carboxylate
CID 164579891
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067
propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 73053474
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
methyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 162383246
benzyl 1-methyl-2-(1-methylpyrazol-4-yl)imidazole-4-carboxylate
CID 70981716
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810

Frequently Asked Questions

What is the IUPAC name of benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The IUPAC name of benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (CID 140929543) is benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.
What is the SMILES notation for benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The canonical SMILES for benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is C[Si](C)(C)CCOCn1cc(C(=O)OCc2ccccc2)nc1C#N.
What is the InChIKey of benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The InChIKey is UCPCABCSMQJRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3Si/c1-25(2,3)10-9-23-14-21-12-16(20-17(21)11-19)18(22)24-13-15-7-5-4-6-8-15/h4-8,12H,9-10,13-14H2,1-3H3.
What are the key properties of benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate has a molecular weight of 357.49 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is sourced from PubChem (CID 140929543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).