2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane

C14H16F2N2Si — CID 162380669

IUPAC2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane
SMILESCCn1cnc2c(F)c(C#C[Si](C)(C)C)c(F)cc21
InChIInChI=1S/C14H16F2N2Si/c1-5-18-9-17-14-12(18)8-11(15)10(13(14)16)6-7-19(2,3)4/h8-9H,5H2,1-4H3
InChIKeyFXPHGTAEXAZSAO-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.56
Rot. Bonds1

About 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane

2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane (PubChem CID 162380669) has the molecular formula C14H16F2N2Si and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane
PubChem CID162380669
Molecular FormulaC14H16F2N2Si
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane
SMILESCCn1cnc2c(F)c(C#C[Si](C)(C)C)c(F)cc21
InChIInChI=1S/C14H16F2N2Si/c1-5-18-9-17-14-12(18)8-11(15)10(13(14)16)6-7-19(2,3)4/h8-9H,5H2,1-4H3
InChIKeyFXPHGTAEXAZSAO-UHFFFAOYSA-N
XLogP3.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane (CID 162380669) is 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane is CCn1cnc2c(F)c(C#C[Si](C)(C)C)c(F)cc21.
What is the InChIKey of 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane?
The InChIKey is FXPHGTAEXAZSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2Si/c1-5-18-9-17-14-12(18)8-11(15)10(13(14)16)6-7-19(2,3)4/h8-9H,5H2,1-4H3.
What are the key properties of 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane?
2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane has a molecular weight of 278.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4,6-difluorobenzimidazol-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 162380669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).