1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

C17H28IN5O — CID 111836748

About 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111836748) has the molecular formula C17H28IN5O and a molecular weight of 445.35 g/mol. Its IUPAC name is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
• PubChem CID: 111836748
• Molecular Formula: C17H28IN5O
• Molecular Weight: 445.35 g/mol
• Exact Mass: 445.13
• IUPAC Name: 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCc1cn2cccc(C)c2n1)NC(C)COC.I
• InChI: InChI=1S/C17H27N5O.HI/c1-5-18-17(20-14(3)12-23-4)19-9-8-15-11-22-10-6-7-13(2)16(22)21-15;/h6-7,10-11,14H,5,8-9,12H2,1-4H3,(H2,18,19,20);1H
• InChIKey: QNNCNHYCDBOUJW-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 62.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.35
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (CID 111836748) is 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1cn2cccc(C)c2n1)NC(C)COC.I.

What is the InChIKey of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

The InChIKey is QNNCNHYCDBOUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.HI/c1-5-18-17(20-14(3)12-23-4)19-9-8-15-11-22-10-6-7-13(2)16(22)21-15;/h6-7,10-11,14H,5,8-9,12H2,1-4H3,(H2,18,19,20);1H.

What are the key properties of 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 445.35 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111836748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).