[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid

C11H18N4O3Si — CID 22343067

IUPAC[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
SMILESC[Si](C)(C)CCOCn1cnc(C#N)c1NC(=O)O
InChIInChI=1S/C11H18N4O3Si/c1-19(2,3)5-4-18-8-15-7-13-9(6-12)10(15)14-11(16)17/h7,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyVTANNQLSMCNOBN-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.16
Rot. Bonds6

About [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid

[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid (PubChem CID 22343067) has the molecular formula C11H18N4O3Si and a molecular weight of 282.38 g/mol. Its IUPAC name is [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
PubChem CID22343067
Molecular FormulaC11H18N4O3Si
Molecular Weight282.38 g/mol
Exact Mass282.11
IUPAC Name[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
SMILESC[Si](C)(C)CCOCn1cnc(C#N)c1NC(=O)O
InChIInChI=1S/C11H18N4O3Si/c1-19(2,3)5-4-18-8-15-7-13-9(6-12)10(15)14-11(16)17/h7,14H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyVTANNQLSMCNOBN-UHFFFAOYSA-N
XLogP2.16
TPSA100.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
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

ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 171465845
benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 140929543
propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 73053474
4,6-dichloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridine-7-carbonitrile
CID 86725368
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 123634189
tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
CID 152533189
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
[4-cyano-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl] N-tert-butylcarbamate
CID 91011564

Frequently Asked Questions

What is the IUPAC name of [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid?
The IUPAC name of [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid (CID 22343067) is [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid.
What is the SMILES notation for [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid?
The canonical SMILES for [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid is C[Si](C)(C)CCOCn1cnc(C#N)c1NC(=O)O.
What is the InChIKey of [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid?
The InChIKey is VTANNQLSMCNOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3Si/c1-19(2,3)5-4-18-8-15-7-13-9(6-12)10(15)14-11(16)17/h7,14H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid?
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid has a molecular weight of 282.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid is sourced from PubChem (CID 22343067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).