2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide

C9H14I2N2 — CID 139030586

IUPAC2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide
SMILESCC1(CI)CN2CC=CC=C2[NH2+]1.[I-]
InChIInChI=1S/C9H13IN2.HI/c1-9(6-10)7-12-5-3-2-4-8(12)11-9;/h2-4,11H,5-7H2,1H3;1H
InChIKeyHUKRKAPZDAHLQD-UHFFFAOYSA-N
MW404.03 g/mol
LogP-2.53
Rot. Bonds1

About 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide

2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide (PubChem CID 139030586) has the molecular formula C9H14I2N2 and a molecular weight of 404.03 g/mol. Its IUPAC name is 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide.

Molecular Properties

Compound Name2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide
PubChem CID139030586
Molecular FormulaC9H14I2N2
Molecular Weight404.03 g/mol
Exact Mass403.92
IUPAC Name2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide
SMILESCC1(CI)CN2CC=CC=C2[NH2+]1.[I-]
InChIInChI=1S/C9H13IN2.HI/c1-9(6-10)7-12-5-3-2-4-8(12)11-9;/h2-4,11H,5-7H2,1H3;1H
InChIKeyHUKRKAPZDAHLQD-UHFFFAOYSA-N
XLogP-2.53
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.03
LogP ≤ 5-2.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
The IUPAC name of 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide (CID 139030586) is 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide.
What is the SMILES notation for 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
The canonical SMILES for 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide is CC1(CI)CN2CC=CC=C2[NH2+]1.[I-].
What is the InChIKey of 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
The InChIKey is HUKRKAPZDAHLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2.HI/c1-9(6-10)7-12-5-3-2-4-8(12)11-9;/h2-4,11H,5-7H2,1H3;1H.
What are the key properties of 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide?
2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide has a molecular weight of 404.03 g/mol, XLogP of -2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-2-methyl-3,5-dihydro-1H-imidazo[1,2-a]pyridin-1-ium iodide is sourced from PubChem (CID 139030586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).