4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde

C10H17BrN2O2Si — CID 87132869

IUPAC4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(Br)nc1C=O
InChIInChI=1S/C10H17BrN2O2Si/c1-16(2,3)5-4-15-8-13-6-9(11)12-10(13)7-14/h6-7H,4-5,8H2,1-3H3
InChIKeyGNCCBAIESBUHNR-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.77
Rot. Bonds6

About 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde

4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde (PubChem CID 87132869) has the molecular formula C10H17BrN2O2Si and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
PubChem CID87132869
Molecular FormulaC10H17BrN2O2Si
Molecular Weight305.25 g/mol
Exact Mass304.02
IUPAC Name4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(Br)nc1C=O
InChIInChI=1S/C10H17BrN2O2Si/c1-16(2,3)5-4-15-8-13-6-9(11)12-10(13)7-14/h6-7H,4-5,8H2,1-3H3
InChIKeyGNCCBAIESBUHNR-UHFFFAOYSA-N
XLogP2.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018765
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
2-[[4-bromo-2-[(E)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87327620
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 86688618
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 58522443
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132
2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911692
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 161107897

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The IUPAC name of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde (CID 87132869) is 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde is C[Si](C)(C)CCOCn1cc(Br)nc1C=O.
What is the InChIKey of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The InChIKey is GNCCBAIESBUHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2Si/c1-16(2,3)5-4-15-8-13-6-9(11)12-10(13)7-14/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde has a molecular weight of 305.25 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 87132869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).