4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile

C11H16F3N3OSi — CID 123982148

IUPAC4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile
SMILESC[Si](C)(C)CCOCc1[nH]c(C#N)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3OSi/c1-19(2,3)5-4-18-7-8-10(11(12,13)14)17-9(6-15)16-8/h4-5,7H2,1-3H3,(H,16,17)
InChIKeyQSZWBJWVTYGEAN-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.15
Rot. Bonds5

About 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile

4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile (PubChem CID 123982148) has the molecular formula C11H16F3N3OSi and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile
PubChem CID123982148
Molecular FormulaC11H16F3N3OSi
Molecular Weight291.35 g/mol
Exact Mass291.10
IUPAC Name4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile
SMILESC[Si](C)(C)CCOCc1[nH]c(C#N)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3OSi/c1-19(2,3)5-4-18-7-8-10(11(12,13)14)17-9(6-15)16-8/h4-5,7H2,1-3H3,(H,16,17)
InChIKeyQSZWBJWVTYGEAN-UHFFFAOYSA-N
XLogP3.15
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile (CID 123982148) is 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile is C[Si](C)(C)CCOCc1[nH]c(C#N)nc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile?
The InChIKey is QSZWBJWVTYGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OSi/c1-19(2,3)5-4-18-7-8-10(11(12,13)14)17-9(6-15)16-8/h4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile?
4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 123982148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).