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

C20H25N5O — CID 111006011

IUPAC1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCc1cn2ccccc2n1)NCCOc1ccccc1
InChIInChI=1S/C20H25N5O/c1-2-21-20(23-13-15-26-18-8-4-3-5-9-18)22-12-11-17-16-25-14-7-6-10-19(25)24-17/h3-10,14,16H,2,11-13,15H2,1H3,(H2,21,22,23)
InChIKeyMIECMFJOAZISQY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.51
Rot. Bonds8

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

1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine (PubChem CID 111006011) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
PubChem CID111006011
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\CCc1cn2ccccc2n1)NCCOc1ccccc1
InChIInChI=1S/C20H25N5O/c1-2-21-20(23-13-15-26-18-8-4-3-5-9-18)22-12-11-17-16-25-14-7-6-10-19(25)24-17/h3-10,14,16H,2,11-13,15H2,1H3,(H2,21,22,23)
InChIKeyMIECMFJOAZISQY-UHFFFAOYSA-N
XLogP2.51
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111410339
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
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
1-ethyl-2-(2-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine (CID 111006011) is 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine is CCN/C(=N\CCc1cn2ccccc2n1)NCCOc1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine?
The InChIKey is MIECMFJOAZISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-21-20(23-13-15-26-18-8-4-3-5-9-18)22-12-11-17-16-25-14-7-6-10-19(25)24-17/h3-10,14,16H,2,11-13,15H2,1H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine?
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine has a molecular weight of 351.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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-phenoxyethyl)guanidine is sourced from PubChem (CID 111006011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).