3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one

C11H12BrN3O — CID 114761432

IUPAC3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCCn1ccnc1
InChIInChI=1S/C11H12BrN3O/c12-10-3-1-6-15(11(10)16)7-2-5-14-8-4-13-9-14/h1,3-4,6,8-9H,2,5,7H2
InChIKeyAYKWBSRHGCEVDX-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.90
Rot. Bonds4

About 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one

3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one (PubChem CID 114761432) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
PubChem CID114761432
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCCn1ccnc1
InChIInChI=1S/C11H12BrN3O/c12-10-3-1-6-15(11(10)16)7-2-5-14-8-4-13-9-14/h1,3-4,6,8-9H,2,5,7H2
InChIKeyAYKWBSRHGCEVDX-UHFFFAOYSA-N
XLogP1.90
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-imidazol-1-ylbutyl)-1H-imidazol-2-one
CID 103125486
3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 114761354
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483663
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403216
3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 114761246
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
1-[3-(4-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147683

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one (CID 114761432) is 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one is O=c1c(Br)cccn1CCCn1ccnc1.
What is the InChIKey of 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
The InChIKey is AYKWBSRHGCEVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-10-3-1-6-15(11(10)16)7-2-5-14-8-4-13-9-14/h1,3-4,6,8-9H,2,5,7H2.
What are the key properties of 3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one?
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one has a molecular weight of 282.14 g/mol, XLogP of 1.90, 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-imidazol-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 114761432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).