5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde

C14H25BrN2O3Si — CID 87549653

IUPAC5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde
SMILESCOCCCc1nc(Br)c(C=O)n1COCC[Si](C)(C)C
InChIInChI=1S/C14H25BrN2O3Si/c1-19-7-5-6-13-16-14(15)12(10-18)17(13)11-20-8-9-21(2,3)4/h10H,5-9,11H2,1-4H3
InChIKeyCXYPDOGSDYIEEZ-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.35
Rot. Bonds10

About 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde

5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde (PubChem CID 87549653) has the molecular formula C14H25BrN2O3Si and a molecular weight of 377.36 g/mol. Its IUPAC name is 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde
PubChem CID87549653
Molecular FormulaC14H25BrN2O3Si
Molecular Weight377.36 g/mol
Exact Mass376.08
IUPAC Name5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde
SMILESCOCCCc1nc(Br)c(C=O)n1COCC[Si](C)(C)C
InChIInChI=1S/C14H25BrN2O3Si/c1-19-7-5-6-13-16-14(15)12(10-18)17(13)11-20-8-9-21(2,3)4/h10H,5-9,11H2,1-4H3
InChIKeyCXYPDOGSDYIEEZ-UHFFFAOYSA-N
XLogP3.35
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde?
The IUPAC name of 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde (CID 87549653) is 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde?
The canonical SMILES for 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde is COCCCc1nc(Br)c(C=O)n1COCC[Si](C)(C)C.
What is the InChIKey of 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde?
The InChIKey is CXYPDOGSDYIEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O3Si/c1-19-7-5-6-13-16-14(15)12(10-18)17(13)11-20-8-9-21(2,3)4/h10H,5-9,11H2,1-4H3.
What are the key properties of 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde?
5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde has a molecular weight of 377.36 g/mol, XLogP of 3.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methoxypropyl)-3-(2-trimethylsilylethoxymethyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 87549653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).