5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one

C11H12BrN3O — CID 62406941

IUPAC5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one
SMILESCCn1ccnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H12BrN3O/c1-2-14-6-5-13-10(14)8-15-7-9(12)3-4-11(15)16/h3-7H,2,8H2,1H3
InChIKeyGONBGMKKPQYPBS-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.88
Rot. Bonds3

About 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one

5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one (PubChem CID 62406941) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one
PubChem CID62406941
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one
SMILESCCn1ccnc1Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H12BrN3O/c1-2-14-6-5-13-10(14)8-15-7-9(12)3-4-11(15)16/h3-7H,2,8H2,1H3
InChIKeyGONBGMKKPQYPBS-UHFFFAOYSA-N
XLogP1.88
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one (CID 62406941) is 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one is CCn1ccnc1Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one?
The InChIKey is GONBGMKKPQYPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-14-6-5-13-10(14)8-15-7-9(12)3-4-11(15)16/h3-7H,2,8H2,1H3.
What are the key properties of 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one?
5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one has a molecular weight of 282.14 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(1-ethylimidazol-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 62406941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).