2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

C19H23BrN2O2Si — CID 154675122

IUPAC2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(Oc3ccccc3)c(Br)ccc21
InChIInChI=1S/C19H23BrN2O2Si/c1-25(2,3)12-11-23-14-22-13-21-18-17(22)10-9-16(20)19(18)24-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
InChIKeyOFKRRXCCIKAWNZ-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.90
Rot. Bonds7

About 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 154675122) has the molecular formula C19H23BrN2O2Si and a molecular weight of 419.40 g/mol. Its IUPAC name is 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID154675122
Molecular FormulaC19H23BrN2O2Si
Molecular Weight419.40 g/mol
Exact Mass418.07
IUPAC Name2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cnc2c(Oc3ccccc3)c(Br)ccc21
InChIInChI=1S/C19H23BrN2O2Si/c1-25(2,3)12-11-23-14-22-13-21-18-17(22)10-9-16(20)19(18)24-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
InChIKeyOFKRRXCCIKAWNZ-UHFFFAOYSA-N
XLogP5.90
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane (CID 154675122) is 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cnc2c(Oc3ccccc3)c(Br)ccc21.
What is the InChIKey of 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is OFKRRXCCIKAWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2Si/c1-25(2,3)12-11-23-14-22-13-21-18-17(22)10-9-16(20)19(18)24-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 419.40 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-phenoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 154675122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).