1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one

C9H10BrN3O — CID 138756834

IUPAC1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cncc(Br)c2)C1=O
InChIInChI=1S/C9H10BrN3O/c1-12-2-3-13(9(12)14)8-4-7(10)5-11-6-8/h4-6H,2-3H2,1H3
InChIKeyQDLQLZGPNAKVLO-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.72
Rot. Bonds1

About 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one

1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one (PubChem CID 138756834) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one
PubChem CID138756834
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cncc(Br)c2)C1=O
InChIInChI=1S/C9H10BrN3O/c1-12-2-3-13(9(12)14)8-4-7(10)5-11-6-8/h4-6H,2-3H2,1H3
InChIKeyQDLQLZGPNAKVLO-UHFFFAOYSA-N
XLogP1.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one (CID 138756834) is 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one is CN1CCN(c2cncc(Br)c2)C1=O.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one?
The InChIKey is QDLQLZGPNAKVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-12-2-3-13(9(12)14)8-4-7(10)5-11-6-8/h4-6H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one?
1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one has a molecular weight of 256.10 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 138756834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).