1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide

C22H27IN6 — CID 110996740

About 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide

1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 110996740) has the molecular formula C22H27IN6 and a molecular weight of 502.40 g/mol. Its IUPAC name is 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
• PubChem CID: 110996740
• Molecular Formula: C22H27IN6
• Molecular Weight: 502.40 g/mol
• Exact Mass: 502.13
• IUPAC Name: 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCc1cn2ccccc2n1)NCCc1c[nH]c2ccccc12.I
• InChI: InChI=1S/C22H26N6.HI/c1-2-23-22(24-12-10-17-15-26-20-8-4-3-7-19(17)20)25-13-11-18-16-28-14-6-5-9-21(28)27-18;/h3-9,14-16,26H,2,10-13H2,1H3,(H2,23,24,25);1H
• InChIKey: XBSSXTIRMAUQCP-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 69.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.40
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

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-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide (CID 110996740) is 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1cn2ccccc2n1)NCCc1c[nH]c2ccccc12.I.

What is the InChIKey of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?

The InChIKey is XBSSXTIRMAUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6.HI/c1-2-23-22(24-12-10-17-15-26-20-8-4-3-7-19(17)20)25-13-11-18-16-28-14-6-5-9-21(28)27-18;/h3-9,14-16,26H,2,10-13H2,1H3,(H2,23,24,25);1H.

What are the key properties of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?

1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 502.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110996740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).