2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide

C8H12I2N2 — CID 139030578

IUPAC2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide
SMILESICC1CN2CC=CC=C2[NH2+]1.[I-]
InChIInChI=1S/C8H11IN2.HI/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,7,10H,4-6H2;1H
InChIKeySNZPIHBJUWPIPB-UHFFFAOYSA-N
MW390.01 g/mol
LogP-2.92
Rot. Bonds1

About 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide

2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide (PubChem CID 139030578) has the molecular formula C8H12I2N2 and a molecular weight of 390.01 g/mol. Its IUPAC name is 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide.

Molecular Properties

Compound Name2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide
PubChem CID139030578
Molecular FormulaC8H12I2N2
Molecular Weight390.01 g/mol
Exact Mass389.91
IUPAC Name2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide
SMILESICC1CN2CC=CC=C2[NH2+]1.[I-]
InChIInChI=1S/C8H11IN2.HI/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,7,10H,4-6H2;1H
InChIKeySNZPIHBJUWPIPB-UHFFFAOYSA-N
XLogP-2.92
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.01
LogP ≤ 5-2.92
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)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
The IUPAC name of 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide (CID 139030578) is 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide.
What is the SMILES notation for 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
The canonical SMILES for 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide is ICC1CN2CC=CC=C2[NH2+]1.[I-].
What is the InChIKey of 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
The InChIKey is SNZPIHBJUWPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2.HI/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-3,7,10H,4-6H2;1H.
What are the key properties of 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide?
2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide has a molecular weight of 390.01 g/mol, XLogP of -2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium iodide is sourced from PubChem (CID 139030578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).