1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide

C7H11BrN2 — CID 139030560

IUPAC1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide
SMILESC1=CCN2CC[NH2+]C2=C1.[Br-]
InChIInChI=1S/C7H10N2.BrH/c1-2-5-9-6-4-8-7(9)3-1;/h1-3,8H,4-6H2;1H
InChIKeySUHBLSSBZHZMCN-UHFFFAOYSA-N
MW203.08 g/mol
LogP-3.72
Rot. Bonds

About 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide

1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide (PubChem CID 139030560) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide.

Molecular Properties

Compound Name1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide
PubChem CID139030560
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide
SMILESC1=CCN2CC[NH2+]C2=C1.[Br-]
InChIInChI=1S/C7H10N2.BrH/c1-2-5-9-6-4-8-7(9)3-1;/h1-3,8H,4-6H2;1H
InChIKeySUHBLSSBZHZMCN-UHFFFAOYSA-N
XLogP-3.72
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 5-3.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroimidazopyridine
CID 22413804
Dihydroimidazo[1,2-a]pyridine
CID 66609854
Hexahydroimidazo[1,2-c]pyrimidine
CID 89120677
Hexahydroimidazo[1,5-c]pyrimidine
CID 129870921
3,8-Diazabicyclo[2.3.1]octa-1(7),5-diene
CID 134613103
2,3-Dihydro-1h-imidazo[1,2-a]pyridinium iodide
CID 139030563
2-Bromomethylene-2,3-dihydro-1h-imidazo[1,2-a]pyridinium bromide
CID 139030570
(e)-2-Bromomethylene-2,3-dihydro-1himidazo[1,2-a]pyridinium bromide
CID 139030572
1,8a-Dihydroimidazo[1,2-a]pyridin-2-amine
CID 18338515
1,2,3,8a-Tetrahydroimidazo[1,2-a]pyridine
CID 68089779
1,2,3,5-Tetrahydroimidazo[1,5-a]pyridine
CID 68440928
N'-(1,2-dihydropyridin-2-yl)ethane-1,2-diamine
CID 70311712

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
The IUPAC name of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide (CID 139030560) is 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide.
What is the SMILES notation for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
The canonical SMILES for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide is C1=CCN2CC[NH2+]C2=C1.[Br-].
What is the InChIKey of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
The InChIKey is SUHBLSSBZHZMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.BrH/c1-2-5-9-6-4-8-7(9)3-1;/h1-3,8H,4-6H2;1H.
What are the key properties of 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide?
1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide has a molecular weight of 203.08 g/mol, XLogP of -3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide is sourced from PubChem (CID 139030560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).