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

C19H31N5O — CID 111971502

IUPAC1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCCC(C)C)NCCc1cn2ccccc2n1
InChIInChI=1S/C19H31N5O/c1-4-20-19(22-11-14-25-13-9-16(2)3)21-10-8-17-15-24-12-6-5-7-18(24)23-17/h5-7,12,15-16H,4,8-11,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyVNMQYCFSYCBPEN-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.49
Rot. Bonds10

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

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine (PubChem CID 111971502) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine
PubChem CID111971502
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCCC(C)C)NCCc1cn2ccccc2n1
InChIInChI=1S/C19H31N5O/c1-4-20-19(22-11-14-25-13-9-16(2)3)21-10-8-17-15-24-12-6-5-7-18(24)23-17/h5-7,12,15-16H,4,8-11,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyVNMQYCFSYCBPEN-UHFFFAOYSA-N
XLogP2.49
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.49
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

2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111575238
1-ethyl-2-(2-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477
2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111719144
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192090
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-phenylpropyl)guanidine;hydroiodide
CID 111342720
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
CID 111006011
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111354832
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-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111410339
2-[[ethylamino-(2-imidazo[1,2-a]pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364839

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine (CID 111971502) is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine is CCN/C(=N\CCOCCC(C)C)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine?
The InChIKey is VNMQYCFSYCBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-4-20-19(22-11-14-25-13-9-16(2)3)21-10-8-17-15-24-12-6-5-7-18(24)23-17/h5-7,12,15-16H,4,8-11,13-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine?
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine has a molecular weight of 345.49 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine is sourced from PubChem (CID 111971502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).