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

C10H18BrN3O2Si — CID 140827014

IUPAC4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(Br)nc1C(N)=O
InChIInChI=1S/C10H18BrN3O2Si/c1-17(2,3)5-4-16-7-14-6-8(11)13-10(14)9(12)15/h6H,4-5,7H2,1-3H3,(H2,12,15)
InChIKeyVQKSDRVSTMTOIQ-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.06
Rot. Bonds6

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

4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (PubChem CID 140827014) has the molecular formula C10H18BrN3O2Si and a molecular weight of 320.26 g/mol. Its IUPAC name is 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
PubChem CID140827014
Molecular FormulaC10H18BrN3O2Si
Molecular Weight320.26 g/mol
Exact Mass319.04
IUPAC Name4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESC[Si](C)(C)CCOCn1cc(Br)nc1C(N)=O
InChIInChI=1S/C10H18BrN3O2Si/c1-17(2,3)5-4-16-7-14-6-8(11)13-10(14)9(12)15/h6H,4-5,7H2,1-3H3,(H2,12,15)
InChIKeyVQKSDRVSTMTOIQ-UHFFFAOYSA-N
XLogP2.06
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.06
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'}

Analyze 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide 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-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-bromo-3-methyl-1-(2-trimethylsilylethoxymethyl)indole-7-carboxamide
CID 131747440
(2S)-3-[2-carbamoyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170607207
2-[[4-bromo-2-(2-chlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 86688618
potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 160723156
[1-[2-[[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]-methylcarbamic acid
CID 89456231
lithium;4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate;ethyl 5-deuterio-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-1-ium-3-carboxylate;bromide
CID 162121650
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The IUPAC name of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (CID 140827014) is 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The canonical SMILES for 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is C[Si](C)(C)CCOCn1cc(Br)nc1C(N)=O.
What is the InChIKey of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The InChIKey is VQKSDRVSTMTOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2Si/c1-17(2,3)5-4-16-7-14-6-8(11)13-10(14)9(12)15/h6H,4-5,7H2,1-3H3,(H2,12,15).
What are the key properties of 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide has a molecular weight of 320.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is sourced from PubChem (CID 140827014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).