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

C12H14BrN3O — CID 66309753

IUPAC5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
SMILESCCCn1cncc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H14BrN3O/c1-2-5-15-9-14-6-11(15)8-16-7-10(13)3-4-12(16)17/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyCEVUXRPJGBCOAS-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.27
Rot. Bonds4

About 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one

5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one (PubChem CID 66309753) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
PubChem CID66309753
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
SMILESCCCn1cncc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C12H14BrN3O/c1-2-5-15-9-14-6-11(15)8-16-7-10(13)3-4-12(16)17/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyCEVUXRPJGBCOAS-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

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Related Compounds

3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 114761246
4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
CID 66152463
4-bromo-3-nitro-1-[(3-propylimidazol-4-yl)methyl]pyrazole
CID 66153231
1-[(3-propylimidazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 79112619
4-oxo-1-[(3-propylimidazol-4-yl)methyl]pyridine-3-carboxylic acid
CID 114038925
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
3-propylpyrimidin-4-one
CID 115679465
N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406746
1-[(3-propylimidazol-4-yl)methyl]imidazole-2-carbaldehyde
CID 66154390
3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
CID 66130031
1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66152642

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one (CID 66309753) is 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one is CCCn1cncc1Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
The InChIKey is CEVUXRPJGBCOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-2-5-15-9-14-6-11(15)8-16-7-10(13)3-4-12(16)17/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one?
5-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 5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 66309753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).