1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

C23H33IN6 — CID 111011074

About 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide

1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (PubChem CID 111011074) has the molecular formula C23H33IN6 and a molecular weight of 520.46 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
• PubChem CID: 111011074
• Molecular Formula: C23H33IN6
• Molecular Weight: 520.46 g/mol
• Exact Mass: 520.18
• IUPAC Name: 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
• SMILES: CCN(CC)C(CN/C(=N\C)NCCc1cn2ccccc2n1)c1ccccc1.I
• InChI: InChI=1S/C23H32N6.HI/c1-4-28(5-2)21(19-11-7-6-8-12-19)17-26-23(24-3)25-15-14-20-18-29-16-10-9-13-22(29)27-20;/h6-13,16,18,21H,4-5,14-15,17H2,1-3H3,(H2,24,25,26);1H
• InChIKey: SRHOZWCMRXCAAK-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 56.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.46
LogP ≤ 5	3.74
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-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide?

The IUPAC name of 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide (CID 111011074) is 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide.

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

The canonical SMILES for 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is CCN(CC)C(CN/C(=N\C)NCCc1cn2ccccc2n1)c1ccccc1.I.

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

The InChIKey is SRHOZWCMRXCAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6.HI/c1-4-28(5-2)21(19-11-7-6-8-12-19)17-26-23(24-3)25-15-14-20-18-29-16-10-9-13-22(29)27-20;/h6-13,16,18,21H,4-5,14-15,17H2,1-3H3,(H2,24,25,26);1H.

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

1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide has a molecular weight of 520.46 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111011074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).