8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium

C18H20BrN2+ — CID 90873275

IUPAC8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium
SMILESCCC[n+]1c(-c2ccccc2)c(CC)n2cccc(Br)c21
InChIInChI=1S/C18H20BrN2/c1-3-12-21-17(14-9-6-5-7-10-14)16(4-2)20-13-8-11-15(19)18(20)21/h5-11,13H,3-4,12H2,1-2H3/q+1
InChIKeyWNNIYBRENUKRDW-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.63
Rot. Bonds4

About 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium

8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium (PubChem CID 90873275) has the molecular formula C18H20BrN2+ and a molecular weight of 344.28 g/mol. Its IUPAC name is 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium.

Molecular Properties

Compound Name8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium
PubChem CID90873275
Molecular FormulaC18H20BrN2+
Molecular Weight344.28 g/mol
Exact Mass343.08
IUPAC Name8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium
SMILESCCC[n+]1c(-c2ccccc2)c(CC)n2cccc(Br)c21
InChIInChI=1S/C18H20BrN2/c1-3-12-21-17(14-9-6-5-7-10-14)16(4-2)20-13-8-11-15(19)18(20)21/h5-11,13H,3-4,12H2,1-2H3/q+1
InChIKeyWNNIYBRENUKRDW-UHFFFAOYSA-N
XLogP4.63
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-phenyl-1-propylpyridin-1-ium
CID 15193545
4-phenyl-2,6-di(propan-2-yl)-1-propylpyridin-1-ium
CID 3723031
5-methyl-1-phenyl-4-propyl-1,2,4-triazol-4-ium-3-thiolate
CID 15765967
8-bromo-2-ethyl-3-methylimidazo[1,2-a]pyridine
CID 83692970
3-bromo-2-hydroxy-1-propylpyrido[1,2-a]pyrimidin-1-ium-4-one
CID 66973678
4-oxo-1-propylpyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 169094579
1-butyl-2-phenyl-3-propylimidazol-3-ium
CID 87806306
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
1-heptyl-2,3,5,6-tetraphenylpyridin-1-ium
CID 3734324
azane;1,1'-biphenyl;butane
CID 155168826
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-butyl-3-ethyl-2-phenylimidazol-1-ium
CID 87808248

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium?
The IUPAC name of 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium (CID 90873275) is 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium.
What is the SMILES notation for 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium?
The canonical SMILES for 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium is CCC[n+]1c(-c2ccccc2)c(CC)n2cccc(Br)c21.
What is the InChIKey of 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium?
The InChIKey is WNNIYBRENUKRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN2/c1-3-12-21-17(14-9-6-5-7-10-14)16(4-2)20-13-8-11-15(19)18(20)21/h5-11,13H,3-4,12H2,1-2H3/q+1.
What are the key properties of 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium?
8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium has a molecular weight of 344.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-ethyl-2-phenyl-1-propylimidazo[1,2-a]pyridin-1-ium is sourced from PubChem (CID 90873275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).