N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide

C24H32IN5O — CID 110059617

About N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 110059617) has the molecular formula C24H32IN5O and a molecular weight of 533.46 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 110059617
• Molecular Formula: C24H32IN5O
• Molecular Weight: 533.46 g/mol
• Exact Mass: 533.17
• IUPAC Name: N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
• SMILES: CC1CCN(/C(=N/CCc2ccco2)NCCc2ccccc2)CC1n1ccnc1.I
• InChI: InChI=1S/C24H31N5O.HI/c1-20-11-15-28(18-23(20)29-16-14-25-19-29)24(27-13-10-22-8-5-17-30-22)26-12-9-21-6-3-2-4-7-21;/h2-8,14,16-17,19-20,23H,9-13,15,18H2,1H3,(H,26,27);1H
• InChIKey: KDTAXHLGXVLRPY-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 58.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.46
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
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 N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide (CID 110059617) is N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(=N/CCc2ccco2)NCCc2ccccc2)CC1n1ccnc1.I.

What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is KDTAXHLGXVLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O.HI/c1-20-11-15-28(18-23(20)29-16-14-25-19-29)24(27-13-10-22-8-5-17-30-22)26-12-9-21-6-3-2-4-7-21;/h2-8,14,16-17,19-20,23H,9-13,15,18H2,1H3,(H,26,27);1H.

What are the key properties of N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide?

N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 533.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(furan-2-yl)ethyl]-3-imidazol-1-yl-4-methyl-N-(2-phenylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110059617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).