4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one

C14H16BrN3O — CID 168504970

IUPAC4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1CCc1ccc2nccn2c1
InChIInChI=1S/C14H16BrN3O/c15-8-12-7-14(19)18(10-12)5-3-11-1-2-13-16-4-6-17(13)9-11/h1-2,4,6,9,12H,3,5,7-8,10H2
InChIKeyZSNXJHSSAIYVNW-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.12
Rot. Bonds4

About 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one

4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one (PubChem CID 168504970) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one
PubChem CID168504970
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1CCc1ccc2nccn2c1
InChIInChI=1S/C14H16BrN3O/c15-8-12-7-14(19)18(10-12)5-3-11-1-2-13-16-4-6-17(13)9-11/h1-2,4,6,9,12H,3,5,7-8,10H2
InChIKeyZSNXJHSSAIYVNW-UHFFFAOYSA-N
XLogP2.12
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
CID 168663176
1-[2-(4-aminophenyl)ethyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168504969
4-(bromomethyl)-1-[2-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168504956
1-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715001
4-(bromomethyl)-1-(2-isoquinolin-3-ylethyl)pyrrolidin-2-one
CID 168504997
ethane;6-ethylimidazo[1,2-a]pyridine
CID 142917283
4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168505091
4-(bromomethyl)-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-2-one
CID 168504939
4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
CID 168663108
4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168508323
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one (CID 168504970) is 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one is O=C1CC(CBr)CN1CCc1ccc2nccn2c1.
What is the InChIKey of 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one?
The InChIKey is ZSNXJHSSAIYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-8-12-7-14(19)18(10-12)5-3-11-1-2-13-16-4-6-17(13)9-11/h1-2,4,6,9,12H,3,5,7-8,10H2.
What are the key properties of 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one has a molecular weight of 322.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(2-imidazo[1,2-a]pyridin-6-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168504970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).