4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine

C18H20FN5OSi — CID 86669614

IUPAC4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)C#Cc1ccc2nc(OCCF)n(-c3ccnc(N)n3)c2c1
InChIInChI=1S/C18H20FN5OSi/c1-26(2,3)11-7-13-4-5-14-15(12-13)24(18(22-14)25-10-8-19)16-6-9-21-17(20)23-16/h4-6,9,12H,8,10H2,1-3H3,(H2,20,21,23)
InChIKeyOGIDSCYHZNNNJK-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.97
Rot. Bonds4

About 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine

4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine (PubChem CID 86669614) has the molecular formula C18H20FN5OSi and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine
PubChem CID86669614
Molecular FormulaC18H20FN5OSi
Molecular Weight369.48 g/mol
Exact Mass369.14
IUPAC Name4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)C#Cc1ccc2nc(OCCF)n(-c3ccnc(N)n3)c2c1
InChIInChI=1S/C18H20FN5OSi/c1-26(2,3)11-7-13-4-5-14-15(12-13)24(18(22-14)25-10-8-19)16-6-9-21-17(20)23-16/h4-6,9,12H,8,10H2,1-3H3,(H2,20,21,23)
InChIKeyOGIDSCYHZNNNJK-UHFFFAOYSA-N
XLogP2.97
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine (CID 86669614) is 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine is C[Si](C)(C)C#Cc1ccc2nc(OCCF)n(-c3ccnc(N)n3)c2c1.
What is the InChIKey of 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine?
The InChIKey is OGIDSCYHZNNNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5OSi/c1-26(2,3)11-7-13-4-5-14-15(12-13)24(18(22-14)25-10-8-19)16-6-9-21-17(20)23-16/h4-6,9,12H,8,10H2,1-3H3,(H2,20,21,23).
What are the key properties of 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine?
4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine has a molecular weight of 369.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoroethoxy)-6-(2-trimethylsilylethynyl)benzimidazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 86669614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).