2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone

C11H10BrN3O — CID 104799352

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone
SMILESCn1cncc1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C11H10BrN3O/c1-15-7-14-6-10(15)11(16)3-8-2-9(12)5-13-4-8/h2,4-7H,3H2,1H3
InChIKeySUEHQZRQKHQBMO-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.00
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone

2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone (PubChem CID 104799352) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone
PubChem CID104799352
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone
SMILESCn1cncc1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C11H10BrN3O/c1-15-7-14-6-10(15)11(16)3-8-2-9(12)5-13-4-8/h2,4-7H,3H2,1H3
InChIKeySUEHQZRQKHQBMO-UHFFFAOYSA-N
XLogP2.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271
1-(5-bromo-3-pyridinyl)-3-tert-butylsulfanylpropan-2-one
CID 104798962
1-(5-bromo-3-pyridinyl)-3-propan-2-ylsulfanylpropan-2-one
CID 104798958
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767
1-(5-bromo-3-pyridinyl)-3-hydroxy-4-methylpentan-2-one
CID 103455295
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
4-amino-1-(5-bromo-3-pyridinyl)butan-2-one
CID 116550854

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone (CID 104799352) is 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone is Cn1cncc1C(=O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone?
The InChIKey is SUEHQZRQKHQBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-15-7-14-6-10(15)11(16)3-8-2-9(12)5-13-4-8/h2,4-7H,3H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone?
2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone has a molecular weight of 280.12 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 104799352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).