3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one

C11H11Br2N3O — CID 114531001

IUPAC3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one
SMILESCn1ccnc1CCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C11H11Br2N3O/c1-15-5-3-14-10(15)2-4-16-7-8(12)6-9(13)11(16)17/h3,5-7H,2,4H2,1H3
InChIKeyVXEFBMSNBLWSCE-UHFFFAOYSA-N
MW361.04 g/mol
LogP2.35
Rot. Bonds3

About 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one

3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one (PubChem CID 114531001) has the molecular formula C11H11Br2N3O and a molecular weight of 361.04 g/mol. Its IUPAC name is 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one
PubChem CID114531001
Molecular FormulaC11H11Br2N3O
Molecular Weight361.04 g/mol
Exact Mass358.93
IUPAC Name3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one
SMILESCn1ccnc1CCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C11H11Br2N3O/c1-15-5-3-14-10(15)2-4-16-7-8(12)6-9(13)11(16)17/h3,5-7H,2,4H2,1H3
InChIKeyVXEFBMSNBLWSCE-UHFFFAOYSA-N
XLogP2.35
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114530992
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114582023
5-bromo-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 83132882
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
4,5-dibromo-2-[(1-methylimidazol-2-yl)methyl]pyridazin-3-one
CID 115694341
1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529457
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
3,5-dibromo-1-[2-(pentan-3-ylamino)ethyl]pyridin-2-one
CID 113413610
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one?
The IUPAC name of 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one (CID 114531001) is 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one is Cn1ccnc1CCn1cc(Br)cc(Br)c1=O.
What is the InChIKey of 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one?
The InChIKey is VXEFBMSNBLWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O/c1-15-5-3-14-10(15)2-4-16-7-8(12)6-9(13)11(16)17/h3,5-7H,2,4H2,1H3.
What are the key properties of 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one?
3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one has a molecular weight of 361.04 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 114531001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).