2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C15H21IN2OSi — CID 59276562

IUPAC2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccnc1-c1ccc(I)cc1
InChIInChI=1S/C15H21IN2OSi/c1-20(2,3)11-10-19-12-18-9-8-17-15(18)13-4-6-14(16)7-5-13/h4-9H,10-12H2,1-3H3
InChIKeyVKHUJZQDYQVLQK-UHFFFAOYSA-N
MW400.34 g/mol
LogP4.47
Rot. Bonds6

About 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 59276562) has the molecular formula C15H21IN2OSi and a molecular weight of 400.34 g/mol. Its IUPAC name is 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID59276562
Molecular FormulaC15H21IN2OSi
Molecular Weight400.34 g/mol
Exact Mass400.05
IUPAC Name2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccnc1-c1ccc(I)cc1
InChIInChI=1S/C15H21IN2OSi/c1-20(2,3)11-10-19-12-18-9-8-17-15(18)13-4-6-14(16)7-5-13/h4-9H,10-12H2,1-3H3
InChIKeyVKHUJZQDYQVLQK-UHFFFAOYSA-N
XLogP4.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 59276562) is 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccnc1-c1ccc(I)cc1.
What is the InChIKey of 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VKHUJZQDYQVLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2OSi/c1-20(2,3)11-10-19-12-18-9-8-17-15(18)13-4-6-14(16)7-5-13/h4-9H,10-12H2,1-3H3.
What are the key properties of 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 400.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 59276562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).