1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one

C18H26BrN3O2Si — CID 58506055

IUPAC1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one
SMILESCc1c(Br)nc(C(=O)CCc2ccncc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C18H26BrN3O2Si/c1-14-17(19)21-18(22(14)13-24-11-12-25(2,3)4)16(23)6-5-15-7-9-20-10-8-15/h7-10H,5-6,11-13H2,1-4H3
InChIKeyLPFFSVPMVLTSLQ-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.48
Rot. Bonds9

About 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one

1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 58506055) has the molecular formula C18H26BrN3O2Si and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID58506055
Molecular FormulaC18H26BrN3O2Si
Molecular Weight424.42 g/mol
Exact Mass423.10
IUPAC Name1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one
SMILESCc1c(Br)nc(C(=O)CCc2ccncc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C18H26BrN3O2Si/c1-14-17(19)21-18(22(14)13-24-11-12-25(2,3)4)16(23)6-5-15-7-9-20-10-8-15/h7-10H,5-6,11-13H2,1-4H3
InChIKeyLPFFSVPMVLTSLQ-UHFFFAOYSA-N
XLogP4.48
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopropyl]benzonitrile
CID 58506045
ethyl 3-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine-6-carboxylate
CID 58506201
1-[5-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-1-one
CID 22477777
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900
5-bromo-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylic acid
CID 175958107
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
3-pyridin-4-ylpropanoyl iodide
CID 171810746
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
methyl 3-pyridin-4-ylpropanoate
CID 3704115

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one (CID 58506055) is 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one is Cc1c(Br)nc(C(=O)CCc2ccncc2)n1COCC[Si](C)(C)C.
What is the InChIKey of 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is LPFFSVPMVLTSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O2Si/c1-14-17(19)21-18(22(14)13-24-11-12-25(2,3)4)16(23)6-5-15-7-9-20-10-8-15/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one?
1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 424.42 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 58506055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).