1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one

C6H13BrN2O3Si — CID 166544666

IUPAC1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one
SMILESO=C1NCCN1CCC[Si](O)(O)Br
InChIInChI=1S/C6H13BrN2O3Si/c7-13(11,12)5-1-3-9-4-2-8-6(9)10/h11-12H,1-5H2,(H,8,10)
InChIKeyIRKVXBGVZXGGBQ-UHFFFAOYSA-N
MW269.17 g/mol
LogP-0.28
Rot. Bonds4

About 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one

1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one (PubChem CID 166544666) has the molecular formula C6H13BrN2O3Si and a molecular weight of 269.17 g/mol. Its IUPAC name is 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one
PubChem CID166544666
Molecular FormulaC6H13BrN2O3Si
Molecular Weight269.17 g/mol
Exact Mass267.99
IUPAC Name1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one
SMILESO=C1NCCN1CCC[Si](O)(O)Br
InChIInChI=1S/C6H13BrN2O3Si/c7-13(11,12)5-1-3-9-4-2-8-6(9)10/h11-12H,1-5H2,(H,8,10)
InChIKeyIRKVXBGVZXGGBQ-UHFFFAOYSA-N
XLogP-0.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one (CID 166544666) is 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one is O=C1NCCN1CCC[Si](O)(O)Br.
What is the InChIKey of 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one?
The InChIKey is IRKVXBGVZXGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2O3Si/c7-13(11,12)5-1-3-9-4-2-8-6(9)10/h11-12H,1-5H2,(H,8,10).
What are the key properties of 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one?
1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one has a molecular weight of 269.17 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bromo(dihydroxy)silyl]propyl]imidazolidin-2-one is sourced from PubChem (CID 166544666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).