1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide

C24H34IN5O3 — CID 111777429

About 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111777429) has the molecular formula C24H34IN5O3 and a molecular weight of 567.47 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
• PubChem CID: 111777429
• Molecular Formula: C24H34IN5O3
• Molecular Weight: 567.47 g/mol
• Exact Mass: 567.17
• IUPAC Name: 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
• SMILES: I.O=C1CCCN1c1ccc(C/N=C(/NCCc2ccco2)NCCN2CCOCC2)cc1
• InChI: InChI=1S/C24H33N5O3.HI/c30-23-4-1-12-29(23)21-7-5-20(6-8-21)19-27-24(25-10-9-22-3-2-16-32-22)26-11-13-28-14-17-31-18-15-28;/h2-3,5-8,16H,1,4,9-15,17-19H2,(H2,25,26,27);1H
• InChIKey: RWSAOJJWJFRCNQ-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 82.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.47
LogP ≤ 5	2.63
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-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?

The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide (CID 111777429) is 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?

The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide is I.O=C1CCCN1c1ccc(C/N=C(/NCCc2ccco2)NCCN2CCOCC2)cc1.

What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?

The InChIKey is RWSAOJJWJFRCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3.HI/c30-23-4-1-12-29(23)21-7-5-20(6-8-21)19-27-24(25-10-9-22-3-2-16-32-22)26-11-13-28-14-17-31-18-15-28;/h2-3,5-8,16H,1,4,9-15,17-19H2,(H2,25,26,27);1H.

What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide?

1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 567.47 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111777429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).