[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol

C10H19BrN2O2Si — CID 174068018

IUPAC[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
SMILESC[Si](C)(C)CCOCn1c(Br)cnc1CO
InChIInChI=1S/C10H19BrN2O2Si/c1-16(2,3)5-4-15-8-13-9(11)6-12-10(13)7-14/h6,14H,4-5,7-8H2,1-3H3
InChIKeyJPHYLXUFINUYGH-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.45
Rot. Bonds6

About [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol

[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol (PubChem CID 174068018) has the molecular formula C10H19BrN2O2Si and a molecular weight of 307.26 g/mol. Its IUPAC name is [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
PubChem CID174068018
Molecular FormulaC10H19BrN2O2Si
Molecular Weight307.26 g/mol
Exact Mass306.04
IUPAC Name[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
SMILESC[Si](C)(C)CCOCn1c(Br)cnc1CO
InChIInChI=1S/C10H19BrN2O2Si/c1-16(2,3)5-4-15-8-13-9(11)6-12-10(13)7-14/h6,14H,4-5,7-8H2,1-3H3
InChIKeyJPHYLXUFINUYGH-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
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 [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The IUPAC name of [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol (CID 174068018) is [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol.
What is the SMILES notation for [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The canonical SMILES for [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol is C[Si](C)(C)CCOCn1c(Br)cnc1CO.
What is the InChIKey of [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
The InChIKey is JPHYLXUFINUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2Si/c1-16(2,3)5-4-15-8-13-9(11)6-12-10(13)7-14/h6,14H,4-5,7-8H2,1-3H3.
What are the key properties of [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol?
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol has a molecular weight of 307.26 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 174068018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).