2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide

C24H30IN5O2 — CID 111913271

About 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide

2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide (PubChem CID 111913271) has the molecular formula C24H30IN5O2 and a molecular weight of 547.44 g/mol. Its IUPAC name is 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
• PubChem CID: 111913271
• Molecular Formula: C24H30IN5O2
• Molecular Weight: 547.44 g/mol
• Exact Mass: 547.14
• IUPAC Name: 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
• SMILES: C/N=C(\NCc1ccccc1CN1CCCC1=O)NC1CC(=O)N(c2ccccc2)C1.I
• InChI: InChI=1S/C24H29N5O2.HI/c1-25-24(27-20-14-23(31)29(17-20)21-10-3-2-4-11-21)26-15-18-8-5-6-9-19(18)16-28-13-7-12-22(28)30;/h2-6,8-11,20H,7,12-17H2,1H3,(H2,25,26,27);1H
• InChIKey: ZZNLTJTVEWCKNA-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 77.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.44
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
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 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide?

The IUPAC name of 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide (CID 111913271) is 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide.

What is the SMILES notation for 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide?

The canonical SMILES for 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide is C/N=C(\NCc1ccccc1CN1CCCC1=O)NC1CC(=O)N(c2ccccc2)C1.I.

What is the InChIKey of 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide?

The InChIKey is ZZNLTJTVEWCKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.HI/c1-25-24(27-20-14-23(31)29(17-20)21-10-3-2-4-11-21)26-15-18-8-5-6-9-19(18)16-28-13-7-12-22(28)30;/h2-6,8-11,20H,7,12-17H2,1H3,(H2,25,26,27);1H.

What are the key properties of 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide?

2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide has a molecular weight of 547.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111913271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).