1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide

C19H27IN6O2 — CID 111830782

About 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111830782) has the molecular formula C19H27IN6O2 and a molecular weight of 498.37 g/mol. Its IUPAC name is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
• PubChem CID: 111830782
• Molecular Formula: C19H27IN6O2
• Molecular Weight: 498.37 g/mol
• Exact Mass: 498.12
• IUPAC Name: 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CCCn1ccc2ccccc21)NCCN1C(=O)CNC1=O.I
• InChI: InChI=1S/C19H26N6O2.HI/c1-2-20-18(22-10-13-25-17(26)14-23-19(25)27)21-9-5-11-24-12-8-15-6-3-4-7-16(15)24;/h3-4,6-8,12H,2,5,9-11,13-14H2,1H3,(H,23,27)(H2,20,21,22);1H
• InChIKey: PMSRYXJIDYXJQN-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 90.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.37
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'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-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide?

The IUPAC name of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide (CID 111830782) is 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide?

The canonical SMILES for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CCCn1ccc2ccccc21)NCCN1C(=O)CNC1=O.I.

What is the InChIKey of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide?

The InChIKey is PMSRYXJIDYXJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.HI/c1-2-20-18(22-10-13-25-17(26)14-23-19(25)27)21-9-5-11-24-12-8-15-6-3-4-7-16(15)24;/h3-4,6-8,12H,2,5,9-11,13-14H2,1H3,(H,23,27)(H2,20,21,22);1H.

What are the key properties of 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide?

1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 498.37 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111830782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).