3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one

C12H14BrN3O — CID 114761246

IUPAC3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
SMILESCCCn1cncc1Cn1cccc(Br)c1=O
InChIInChI=1S/C12H14BrN3O/c1-2-5-16-9-14-7-10(16)8-15-6-3-4-11(13)12(15)17/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyCWBMDKLUWWEDOV-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.27
Rot. Bonds4

About 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one

3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one (PubChem CID 114761246) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
PubChem CID114761246
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
SMILESCCCn1cncc1Cn1cccc(Br)c1=O
InChIInChI=1S/C12H14BrN3O/c1-2-5-16-9-14-7-10(16)8-15-6-3-4-11(13)12(15)17/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyCWBMDKLUWWEDOV-UHFFFAOYSA-N
XLogP2.27
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one 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

1-[(3-propylimidazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 79112619
5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 66309753
4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
CID 66152463
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102051
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
1-[(3-ethylimidazol-4-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 107017493
3-bromo-1-dodecylpyridin-2-one
CID 114761270
3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 114761354
1-[(3-propylimidazol-4-yl)methyl]imidazole-2-carbaldehyde
CID 66154390
4-bromo-3-nitro-1-[(3-propylimidazol-4-yl)methyl]pyrazole
CID 66153231
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432
4-nitro-1-[(3-propylimidazol-4-yl)methyl]indole
CID 116623371

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one (CID 114761246) is 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one is CCCn1cncc1Cn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
The InChIKey is CWBMDKLUWWEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-2-5-16-9-14-7-10(16)8-15-6-3-4-11(13)12(15)17/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one has a molecular weight of 296.17 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 114761246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).