3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one

C8H6BrN3O — CID 130486985

IUPAC3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cncc(Br)c1
InChIInChI=1S/C8H6BrN3O/c9-6-3-7(5-10-4-6)12-2-1-11-8(12)13/h1-5H,(H,11,13)
InChIKeyOSONALCQAFXZSQ-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.32
Rot. Bonds1

About 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one

3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one (PubChem CID 130486985) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
PubChem CID130486985
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cncc(Br)c1
InChIInChI=1S/C8H6BrN3O/c9-6-3-7(5-10-4-6)12-2-1-11-8(12)13/h1-5H,(H,11,13)
InChIKeyOSONALCQAFXZSQ-UHFFFAOYSA-N
XLogP1.32
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3,5-dimethylphenyl)-1H-imidazol-2-one
CID 107575239
3-(3,5-difluorophenyl)-1H-imidazol-2-one
CID 112708439
3-(4-bromo-3-fluorophenyl)-1H-imidazol-2-one
CID 103124099
3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
CID 103124142
3-bromo-5-pyrazol-1-ylpyridine
CID 66521212
3-(4-methylphenyl)-1H-imidazol-2-one
CID 14927424
1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid
CID 178159594
3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one
CID 117354732
1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136992687
3-(5-fluoro-3-pyridinyl)-1H-imidazole-2-thione
CID 130497219
1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione
CID 130486103
3-bromo-5-(triazol-1-yl)pyridine
CID 84689554

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one (CID 130486985) is 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one is O=c1[nH]ccn1-c1cncc(Br)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one?
The InChIKey is OSONALCQAFXZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-6-3-7(5-10-4-6)12-2-1-11-8(12)13/h1-5H,(H,11,13).
What are the key properties of 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one?
3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one has a molecular weight of 240.06 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-1H-imidazol-2-one is sourced from PubChem (CID 130486985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).