2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane

C21H23ClN2Si — CID 175709289

IUPAC2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc(Cl)cc1-n1cnc2ccccc21)(CC)CC
InChIInChI=1S/C21H23ClN2Si/c1-4-25(5-2,6-3)14-13-17-11-12-18(22)15-21(17)24-16-23-19-9-7-8-10-20(19)24/h7-12,15-16H,4-6H2,1-3H3
InChIKeyOQTMFOPHPPNMJN-UHFFFAOYSA-N
MW366.97 g/mol
LogP6.08
Rot. Bonds4

About 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane

2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane (PubChem CID 175709289) has the molecular formula C21H23ClN2Si and a molecular weight of 366.97 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane
PubChem CID175709289
Molecular FormulaC21H23ClN2Si
Molecular Weight366.97 g/mol
Exact Mass366.13
IUPAC Name2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc(Cl)cc1-n1cnc2ccccc21)(CC)CC
InChIInChI=1S/C21H23ClN2Si/c1-4-25(5-2,6-3)14-13-17-11-12-18(22)15-21(17)24-16-23-19-9-7-8-10-20(19)24/h7-12,15-16H,4-6H2,1-3H3
InChIKeyOQTMFOPHPPNMJN-UHFFFAOYSA-N
XLogP6.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.97
LogP ≤ 56.08
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-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane?
The IUPAC name of 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane (CID 175709289) is 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane is CC[Si](C#Cc1ccc(Cl)cc1-n1cnc2ccccc21)(CC)CC.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane?
The InChIKey is OQTMFOPHPPNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2Si/c1-4-25(5-2,6-3)14-13-17-11-12-18(22)15-21(17)24-16-23-19-9-7-8-10-20(19)24/h7-12,15-16H,4-6H2,1-3H3.
What are the key properties of 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane?
2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane has a molecular weight of 366.97 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)-4-chlorophenyl]ethynyl-triethylsilane is sourced from PubChem (CID 175709289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).