2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine

C22H26N4O — CID 111134399

IUPAC2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESc1ccc(CCN/C(=N\CCc2ccco2)NCCc2ccccn2)cc1
InChIInChI=1S/C22H26N4O/c1-2-7-19(8-3-1)11-15-24-22(26-17-13-21-10-6-18-27-21)25-16-12-20-9-4-5-14-23-20/h1-10,14,18H,11-13,15-17H2,(H2,24,25,26)
InChIKeyWVJOVGLJANMCIW-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.24
Rot. Bonds9

About 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine

2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111134399) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111134399
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESc1ccc(CCN/C(=N\CCc2ccco2)NCCc2ccccn2)cc1
InChIInChI=1S/C22H26N4O/c1-2-7-19(8-3-1)11-15-24-22(26-17-13-21-10-6-18-27-21)25-16-12-20-9-4-5-14-23-20/h1-10,14,18H,11-13,15-17H2,(H2,24,25,26)
InChIKeyWVJOVGLJANMCIW-UHFFFAOYSA-N
XLogP3.24
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.24
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'}

Analyze 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-[2-(6-chloro-3-pyridinyl)ethyl]-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110051551
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111316122
2-[2-(furan-2-yl)ethyl]-1-(2-pyridin-2-ylethyl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 111357385
1-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)-3-(2-phenylethyl)guanidine
CID 110052394
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
1-[2-(furan-2-yl)ethyl]-2-[2-(2-hydroxyethoxy)ethyl]-3-(2-phenylethyl)guanidine
CID 111541568
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111493954
1-[2-(furan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 110970313
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111193486
1-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111494052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine (CID 111134399) is 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine is c1ccc(CCN/C(=N\CCc2ccco2)NCCc2ccccn2)cc1.
What is the InChIKey of 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is WVJOVGLJANMCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-7-19(8-3-1)11-15-24-22(26-17-13-21-10-6-18-27-21)25-16-12-20-9-4-5-14-23-20/h1-10,14,18H,11-13,15-17H2,(H2,24,25,26).
What are the key properties of 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine?
2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 362.48 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111134399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).