1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one

C11H12BrN3O2 — CID 91433414

IUPAC1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one
SMILESO=c1n(CCCBr)cc(O)n1-c1ccccn1
InChIInChI=1S/C11H12BrN3O2/c12-5-3-7-14-8-10(16)15(11(14)17)9-4-1-2-6-13-9/h1-2,4,6,8,16H,3,5,7H2
InChIKeyRLXMDOFJJZPQSA-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.52
Rot. Bonds4

About 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one

1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one (PubChem CID 91433414) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one
PubChem CID91433414
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one
SMILESO=c1n(CCCBr)cc(O)n1-c1ccccn1
InChIInChI=1S/C11H12BrN3O2/c12-5-3-7-14-8-10(16)15(11(14)17)9-4-1-2-6-13-9/h1-2,4,6,8,16H,3,5,7H2
InChIKeyRLXMDOFJJZPQSA-UHFFFAOYSA-N
XLogP1.52
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-3-pyridin-2-ylimidazole-2-thione
CID 54044276
4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 23823306
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione
CID 175968865
1-(9-bromononyl)pyrimidin-2-one
CID 105343065
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
2-[5-(2-bromoethyl)-1,2,4-triazol-1-yl]pyridine
CID 135185425
1,3,5-tris(3-bromopropyl)-1,3,5-triazinane-2,4,6-trione
CID 18373663
1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one
CID 22922573
1-pyridin-2-yl-6-(6-pyrrol-1-ylhexyl)pyridin-2-one
CID 178081601
4-methyl-1-pyridin-2-ylpyrrol-2-ol
CID 57157811
3-hydroxy-N-(1-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 75510958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one?
The IUPAC name of 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one (CID 91433414) is 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one.
What is the SMILES notation for 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one?
The canonical SMILES for 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one is O=c1n(CCCBr)cc(O)n1-c1ccccn1.
What is the InChIKey of 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one?
The InChIKey is RLXMDOFJJZPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c12-5-3-7-14-8-10(16)15(11(14)17)9-4-1-2-6-13-9/h1-2,4,6,8,16H,3,5,7H2.
What are the key properties of 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one?
1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one has a molecular weight of 298.14 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-hydroxy-3-pyridin-2-ylimidazol-2-one is sourced from PubChem (CID 91433414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).