(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one

C8H8BrN3O — CID 130976022

IUPAC(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(Br)nc2)N1
InChIInChI=1S/C8H8BrN3O/c9-7-2-1-5(3-10-7)6-4-11-8(13)12-6/h1-3,6H,4H2,(H2,11,12,13)/t6-/m0/s1
InChIKeyFDIKLBXLEMHVFG-LURJTMIESA-N
MW242.08 g/mol
LogP1.20
Rot. Bonds1

About (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one

(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one (PubChem CID 130976022) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one
PubChem CID130976022
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(Br)nc2)N1
InChIInChI=1S/C8H8BrN3O/c9-7-2-1-5(3-10-7)6-4-11-8(13)12-6/h1-3,6H,4H2,(H2,11,12,13)/t6-/m0/s1
InChIKeyFDIKLBXLEMHVFG-LURJTMIESA-N
XLogP1.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
(4R)-4-(3-bromo-4-fluorophenyl)imidazolidin-2-one
CID 130723631
4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
CID 131480890
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
(4R)-4-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 171252661
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
CID 171252821
2-bromo-5-(oxolan-2-yl)pyridine
CID 66521193
2-(6-bromo-3-pyridinyl)oxan-4-one
CID 172993602
2-bromo-5-[(2R)-oxiran-2-yl]pyridine
CID 99981068
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one (CID 130976022) is (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one is O=C1NC[C@@H](c2ccc(Br)nc2)N1.
What is the InChIKey of (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one?
The InChIKey is FDIKLBXLEMHVFG-LURJTMIESA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-7-2-1-5(3-10-7)6-4-11-8(13)12-6/h1-3,6H,4H2,(H2,11,12,13)/t6-/m0/s1.
What are the key properties of (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one?
(4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one has a molecular weight of 242.08 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-bromo-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 130976022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).