1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide

C17H26IN5O2 — CID 119141537

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide

1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119141537) has the molecular formula C17H26IN5O2 and a molecular weight of 459.33 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
• PubChem CID: 119141537
• Molecular Formula: C17H26IN5O2
• Molecular Weight: 459.33 g/mol
• Exact Mass: 459.11
• IUPAC Name: 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
• SMILES: C/N=C(/NCc1cn2c(n1)CCCC2)NCC(O)c1ccc(C)o1.I
• InChI: InChI=1S/C17H25N5O2.HI/c1-12-6-7-15(24-12)14(23)10-20-17(18-2)19-9-13-11-22-8-4-3-5-16(22)21-13;/h6-7,11,14,23H,3-5,8-10H2,1-2H3,(H2,18,19,20);1H
• InChIKey: WNVZHUXLJHVJHS-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 87.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.33
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?

The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide (CID 119141537) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?

The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide is C/N=C(/NCc1cn2c(n1)CCCC2)NCC(O)c1ccc(C)o1.I.

What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?

The InChIKey is WNVZHUXLJHVJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2.HI/c1-12-6-7-15(24-12)14(23)10-20-17(18-2)19-9-13-11-22-8-4-3-5-16(22)21-13;/h6-7,11,14,23H,3-5,8-10H2,1-2H3,(H2,18,19,20);1H.

What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?

1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 459.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119141537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).