1-hexylimidazo[1,2-a]pyridin-1-ium bromide

C13H19BrN2 — CID 174220974

IUPAC1-hexylimidazo[1,2-a]pyridin-1-ium bromide
SMILESCCCCCC[n+]1ccn2ccccc21.[Br-]
InChIInChI=1S/C13H19N2.BrH/c1-2-3-4-6-9-14-11-12-15-10-7-5-8-13(14)15;/h5,7-8,10-12H,2-4,6,9H2,1H3;1H/q+1;/p-1
InChIKeyUYGDPBJQVNGKKM-UHFFFAOYSA-M
MW283.21 g/mol
LogP-0.19
Rot. Bonds5

About 1-hexylimidazo[1,2-a]pyridin-1-ium bromide

1-hexylimidazo[1,2-a]pyridin-1-ium bromide (PubChem CID 174220974) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-hexylimidazo[1,2-a]pyridin-1-ium bromide.

Molecular Properties

Compound Name1-hexylimidazo[1,2-a]pyridin-1-ium bromide
PubChem CID174220974
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-hexylimidazo[1,2-a]pyridin-1-ium bromide
SMILESCCCCCC[n+]1ccn2ccccc21.[Br-]
InChIInChI=1S/C13H19N2.BrH/c1-2-3-4-6-9-14-11-12-15-10-7-5-8-13(14)15;/h5,7-8,10-12H,2-4,6,9H2,1H3;1H/q+1;/p-1
InChIKeyUYGDPBJQVNGKKM-UHFFFAOYSA-M
XLogP-0.19
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentadecyl-3-phenyl-2-undecylimidazol-1-ium
CID 87810411
1-octadecyl-2-pentadecyl-3-phenylimidazol-1-ium
CID 87806987
1-dodecyl-2-pentyl-3-phenylimidazol-1-ium
CID 87811153
1-heptadecyl-2-hexadecyl-3-phenylimidazol-1-ium
CID 87897585
2-octadecyl-1-phenyl-3-tridecylimidazol-3-ium
CID 87896052
1-decyl-2-nonyl-3-phenylimidazol-1-ium
CID 87808367
1-decyl-2-hexadecyl-3-phenylimidazol-1-ium
CID 87897290
2-ethyl-1-octadecyl-3-phenylimidazol-1-ium
CID 87807055
1-dodecyl-3-pentadecyl-2-phenylimidazol-3-ium
CID 87805437
1-decyl-2-phenyl-3-tridecylimidazol-3-ium
CID 87811425
1-heptyl-2,3-diphenylimidazol-1-ium
CID 87809749
1,2-diphenyl-3-tetradecylimidazol-3-ium
CID 87806578

Frequently Asked Questions

What is the IUPAC name of 1-hexylimidazo[1,2-a]pyridin-1-ium bromide?
The IUPAC name of 1-hexylimidazo[1,2-a]pyridin-1-ium bromide (CID 174220974) is 1-hexylimidazo[1,2-a]pyridin-1-ium bromide.
What is the SMILES notation for 1-hexylimidazo[1,2-a]pyridin-1-ium bromide?
The canonical SMILES for 1-hexylimidazo[1,2-a]pyridin-1-ium bromide is CCCCCC[n+]1ccn2ccccc21.[Br-].
What is the InChIKey of 1-hexylimidazo[1,2-a]pyridin-1-ium bromide?
The InChIKey is UYGDPBJQVNGKKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19N2.BrH/c1-2-3-4-6-9-14-11-12-15-10-7-5-8-13(14)15;/h5,7-8,10-12H,2-4,6,9H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-hexylimidazo[1,2-a]pyridin-1-ium bromide?
1-hexylimidazo[1,2-a]pyridin-1-ium bromide has a molecular weight of 283.21 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylimidazo[1,2-a]pyridin-1-ium bromide is sourced from PubChem (CID 174220974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).