1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C14H27BrN2O3Si — CID 140886182

IUPAC1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESC[Si](C)(C)CCOCN1C(=O)CN(CCCCCBr)C1=O
InChIInChI=1S/C14H27BrN2O3Si/c1-21(2,3)10-9-20-12-17-13(18)11-16(14(17)19)8-6-4-5-7-15/h4-12H2,1-3H3
InChIKeyUKMPCINBICIKJP-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.13
Rot. Bonds10

About 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 140886182) has the molecular formula C14H27BrN2O3Si and a molecular weight of 379.37 g/mol. Its IUPAC name is 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
PubChem CID140886182
Molecular FormulaC14H27BrN2O3Si
Molecular Weight379.37 g/mol
Exact Mass378.10
IUPAC Name1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
SMILESC[Si](C)(C)CCOCN1C(=O)CN(CCCCCBr)C1=O
InChIInChI=1S/C14H27BrN2O3Si/c1-21(2,3)10-9-20-12-17-13(18)11-16(14(17)19)8-6-4-5-7-15/h4-12H2,1-3H3
InChIKeyUKMPCINBICIKJP-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;2-ethoxyethyl(trimethyl)silane
CID 158480271
3-(3-bromopropyl)-1-methylimidazolidine-2,4-dione
CID 43135403
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522
methyl 5-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolidine-3-carboxylate
CID 153497790
1-(9-bromononyl)-5-methylazepan-2-one
CID 105343144
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-2-one
CID 169114168
4-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
CID 166524443
(6aS)-3-(5-bromopentoxy)-2-methoxy-8-(4-methylphenyl)-5-(2-trimethylsilylethoxymethyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 163933839
6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 123772393
1-(4-bromobutyl)-4-methylpyrrolidin-2-one
CID 63103884

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 140886182) is 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is C[Si](C)(C)CCOCN1C(=O)CN(CCCCCBr)C1=O.
What is the InChIKey of 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
The InChIKey is UKMPCINBICIKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O3Si/c1-21(2,3)10-9-20-12-17-13(18)11-16(14(17)19)8-6-4-5-7-15/h4-12H2,1-3H3.
What are the key properties of 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?
1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 379.37 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 140886182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).