1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one

C13H17BrN4O — CID 71926555

IUPAC1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(c2cncc(Br)c2)C1
InChIInChI=1S/C13H17BrN4O/c14-10-6-12(8-15-7-10)17-4-1-2-11(9-17)18-5-3-16-13(18)19/h6-8,11H,1-5,9H2,(H,16,19)
InChIKeyKKWIIUMEAOXCFK-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.84
Rot. Bonds2

About 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one

1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 71926555) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID71926555
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(c2cncc(Br)c2)C1
InChIInChI=1S/C13H17BrN4O/c14-10-6-12(8-15-7-10)17-4-1-2-11(9-17)18-5-3-16-13(18)19/h6-8,11H,1-5,9H2,(H,16,19)
InChIKeyKKWIIUMEAOXCFK-UHFFFAOYSA-N
XLogP1.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one (CID 71926555) is 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1C1CCCN(c2cncc(Br)c2)C1.
What is the InChIKey of 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is KKWIIUMEAOXCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c14-10-6-12(8-15-7-10)17-4-1-2-11(9-17)18-5-3-16-13(18)19/h6-8,11H,1-5,9H2,(H,16,19).
What are the key properties of 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one?
1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 325.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 71926555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).