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

C18H30IN5O — CID 111945248

IUPAC2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCCOCC)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C18H29N5O.HI/c1-3-19-18(20-11-6-8-14-24-4-2)21-12-10-16-15-23-13-7-5-9-17(23)22-16;/h5,7,9,13,15H,3-4,6,8,10-12,14H2,1-2H3,(H2,19,20,21);1H
InChIKeyIEAPZOKIZPNWLQ-UHFFFAOYSA-N
MW459.38 g/mol
LogP2.87
Rot. Bonds10

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

2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111945248) has the molecular formula C18H30IN5O and a molecular weight of 459.38 g/mol. Its IUPAC name is 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111945248
Molecular FormulaC18H30IN5O
Molecular Weight459.38 g/mol
Exact Mass459.15
IUPAC Name2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCCOCC)NCCc1cn2ccccc2n1.I
InChIInChI=1S/C18H29N5O.HI/c1-3-19-18(20-11-6-8-14-24-4-2)21-12-10-16-15-23-13-7-5-9-17(23)22-16;/h5,7,9,13,15H,3-4,6,8,10-12,14H2,1-2H3,(H2,19,20,21);1H
InChIKeyIEAPZOKIZPNWLQ-UHFFFAOYSA-N
XLogP2.87
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 52.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971502
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111575238
2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836404
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
CID 111006011
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-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352270
1-ethyl-2-(2-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111354832
2-[[ethylamino-(2-imidazo[1,2-a]pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364839
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933602
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216606

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide (CID 111945248) is 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCCCOCC)NCCc1cn2ccccc2n1.I.
What is the InChIKey of 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is IEAPZOKIZPNWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O.HI/c1-3-19-18(20-11-6-8-14-24-4-2)21-12-10-16-15-23-13-7-5-9-17(23)22-16;/h5,7,9,13,15H,3-4,6,8,10-12,14H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide?
2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 459.38 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111945248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).