5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one

C12H14BrN3O — CID 83132882

IUPAC5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
SMILESCc1cc(Br)cn(CCn2ccnc2C)c1=O
InChIInChI=1S/C12H14BrN3O/c1-9-7-11(13)8-16(12(9)17)6-5-15-4-3-14-10(15)2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCFIUGNLKESBOHK-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.12
Rot. Bonds3

About 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one

5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one (PubChem CID 83132882) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
PubChem CID83132882
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
SMILESCc1cc(Br)cn(CCn2ccnc2C)c1=O
InChIInChI=1S/C12H14BrN3O/c1-9-7-11(13)8-16(12(9)17)6-5-15-4-3-14-10(15)2/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCFIUGNLKESBOHK-UHFFFAOYSA-N
XLogP2.12
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(4-bromobutyl)-3-methylpyridin-2-one
CID 83130815
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
CID 131021073
5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-3-carboxylic acid
CID 79114994
4,5-dibromo-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 114386342
hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
CID 83133573
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
CID 83133830
5-bromo-3-methyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyridin-2-one
CID 83133309
3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one
CID 114531001
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
methyl 2-amino-4-(2-methylimidazol-1-yl)butanoate
CID 63039745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one (CID 83132882) is 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one is Cc1cc(Br)cn(CCn2ccnc2C)c1=O.
What is the InChIKey of 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is CFIUGNLKESBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-9-7-11(13)8-16(12(9)17)6-5-15-4-3-14-10(15)2/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 296.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 83132882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).