imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide

C11H16IN3 — CID 14602276

IUPACimidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)Cc1cnc2ccccn12.[I-]
InChIInChI=1S/C11H16N3.HI/c1-14(2,3)9-10-8-12-11-6-4-5-7-13(10)11;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyVRNROAGRTRKHKT-UHFFFAOYSA-M
MW317.17 g/mol
LogP-1.46
Rot. Bonds2

About imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide

imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide (PubChem CID 14602276) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
PubChem CID14602276
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Nameimidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)Cc1cnc2ccccn12.[I-]
InChIInChI=1S/C11H16N3.HI/c1-14(2,3)9-10-8-12-11-6-4-5-7-13(10)11;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
InChIKeyVRNROAGRTRKHKT-UHFFFAOYSA-M
XLogP-1.46
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
CID 145017960
5-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylpyrimidin-2-amine
CID 72874865
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine
CID 145017956
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
CID 115639682

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide?
The IUPAC name of imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide (CID 14602276) is imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide.
What is the SMILES notation for imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide?
The canonical SMILES for imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide is C[N+](C)(C)Cc1cnc2ccccn12.[I-].
What is the InChIKey of imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide?
The InChIKey is VRNROAGRTRKHKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N3.HI/c1-14(2,3)9-10-8-12-11-6-4-5-7-13(10)11;/h4-8H,9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide?
imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide has a molecular weight of 317.17 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide is sourced from PubChem (CID 14602276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).