1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine

C21H27N5O2 — CID 111410339

IUPAC1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCc1cn2ccccc2n1)NCCOc1ccc(OC)cc1
InChIInChI=1S/C21H27N5O2/c1-3-22-21(24-13-15-28-19-9-7-18(27-2)8-10-19)23-12-11-17-16-26-14-5-4-6-20(26)25-17/h4-10,14,16H,3,11-13,15H2,1-2H3,(H2,22,23,24)
InChIKeyPPSIMGIJHNNVPP-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.52
Rot. Bonds9

About 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine

1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine (PubChem CID 111410339) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine
PubChem CID111410339
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine
SMILESCCN/C(=N\CCc1cn2ccccc2n1)NCCOc1ccc(OC)cc1
InChIInChI=1S/C21H27N5O2/c1-3-22-21(24-13-15-28-19-9-7-18(27-2)8-10-19)23-12-11-17-16-26-14-5-4-6-20(26)25-17/h4-10,14,16H,3,11-13,15H2,1-2H3,(H2,22,23,24)
InChIKeyPPSIMGIJHNNVPP-UHFFFAOYSA-N
XLogP2.52
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]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-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
CID 111006011
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971502
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933602
2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111354832
1-cyclohexyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 110958559
1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 110991788
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216606
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111575238
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
1-ethyl-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111531620
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996740

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine (CID 111410339) is 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine is CCN/C(=N\CCc1cn2ccccc2n1)NCCOc1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine?
The InChIKey is PPSIMGIJHNNVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-22-21(24-13-15-28-19-9-7-18(27-2)8-10-19)23-12-11-17-16-26-14-5-4-6-20(26)25-17/h4-10,14,16H,3,11-13,15H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine?
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine has a molecular weight of 381.48 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine is sourced from PubChem (CID 111410339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).