1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

C23H32IN5O2 — CID 111246170

About 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (PubChem CID 111246170) has the molecular formula C23H32IN5O2 and a molecular weight of 537.45 g/mol. Its IUPAC name is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
• PubChem CID: 111246170
• Molecular Formula: C23H32IN5O2
• Molecular Weight: 537.45 g/mol
• Exact Mass: 537.16
• IUPAC Name: 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
• SMILES: CCOc1ccc(CCN/C(=N\C)NCCc2cn3ccccc3n2)cc1OCC.I
• InChI: InChI=1S/C23H31N5O2.HI/c1-4-29-20-10-9-18(16-21(20)30-5-2)11-13-25-23(24-3)26-14-12-19-17-28-15-7-6-8-22(28)27-19;/h6-10,15-17H,4-5,11-14H2,1-3H3,(H2,24,25,26);1H
• InChIKey: OWMYQUWEUTXYCF-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 72.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.45
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
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-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?

The IUPAC name of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (CID 111246170) is 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.

What is the SMILES notation for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?

The canonical SMILES for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is CCOc1ccc(CCN/C(=N\C)NCCc2cn3ccccc3n2)cc1OCC.I.

What is the InChIKey of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?

The InChIKey is OWMYQUWEUTXYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2.HI/c1-4-29-20-10-9-18(16-21(20)30-5-2)11-13-25-23(24-3)26-14-12-19-17-28-15-7-6-8-22(28)27-19;/h6-10,15-17H,4-5,11-14H2,1-3H3,(H2,24,25,26);1H.

What are the key properties of 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?

1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide has a molecular weight of 537.45 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111246170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).