2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine

C24H28N4O — CID 111909919

IUPAC2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
SMILESc1ccc(C/N=C(\NCCc2ccco2)NC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C24H28N4O/c1-3-8-20(9-4-1)18-26-24(25-15-13-23-12-7-17-29-23)27-21-14-16-28(19-21)22-10-5-2-6-11-22/h1-12,17,21H,13-16,18-19H2,(H2,25,26,27)
InChIKeyAPRXCMGDMZANRE-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.84
Rot. Bonds7

About 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine

2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine (PubChem CID 111909919) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
PubChem CID111909919
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
SMILESc1ccc(C/N=C(\NCCc2ccco2)NC2CCN(c3ccccc3)C2)cc1
InChIInChI=1S/C24H28N4O/c1-3-8-20(9-4-1)18-26-24(25-15-13-23-12-7-17-29-23)27-21-14-16-28(19-21)22-10-5-2-6-11-22/h1-12,17,21H,13-16,18-19H2,(H2,25,26,27)
InChIKeyAPRXCMGDMZANRE-UHFFFAOYSA-N
XLogP3.84
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110954221
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
2-benzyl-1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110059651
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]guanidine;hydroiodide
CID 110060291
2-benzyl-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111908886
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)guanidine
CID 110060946
2-[4-[[N'-benzyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 110054630
1-[2-(furan-2-yl)ethyl]-3-(1-phenylpiperidin-4-yl)-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110055171
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(oxolan-3-ylmethyl)guanidine
CID 110061358
1-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)-2-(thiophen-2-ylmethyl)guanidine
CID 110060938
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine
CID 110057228
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910532

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The IUPAC name of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine (CID 111909919) is 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine is c1ccc(C/N=C(\NCCc2ccco2)NC2CCN(c3ccccc3)C2)cc1.
What is the InChIKey of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The InChIKey is APRXCMGDMZANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-8-20(9-4-1)18-26-24(25-15-13-23-12-7-17-29-23)27-21-14-16-28(19-21)22-10-5-2-6-11-22/h1-12,17,21H,13-16,18-19H2,(H2,25,26,27).
What are the key properties of 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine has a molecular weight of 388.52 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 111909919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).