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

C22H29N5O — CID 111685254

IUPAC1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)Oc1cccc(C)c1)NCCc1cn2ccccc2n1
InChIInChI=1S/C22H29N5O/c1-4-23-22(25-15-18(3)28-20-9-7-8-17(2)14-20)24-12-11-19-16-27-13-6-5-10-21(27)26-19/h5-10,13-14,16,18H,4,11-12,15H2,1-3H3,(H2,23,24,25)
InChIKeyUKYXHVZHGZINKI-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.21
Rot. Bonds8

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

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine (PubChem CID 111685254) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine
PubChem CID111685254
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)Oc1cccc(C)c1)NCCc1cn2ccccc2n1
InChIInChI=1S/C22H29N5O/c1-4-23-22(25-15-18(3)28-20-9-7-8-17(2)14-20)24-12-11-19-16-27-13-6-5-10-21(27)26-19/h5-10,13-14,16,18H,4,11-12,15H2,1-3H3,(H2,23,24,25)
InChIKeyUKYXHVZHGZINKI-UHFFFAOYSA-N
XLogP3.21
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-ethylbutyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111890477
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342720
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 111971502
1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111681281
2-[[ethylamino-(2-imidazo[1,2-a]pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364839
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111864832
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-phenoxyethyl)guanidine
CID 111006011
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900089
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
2-(4-ethoxybutyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111945248
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine (CID 111685254) is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine is CCN/C(=N\CC(C)Oc1cccc(C)c1)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine?
The InChIKey is UKYXHVZHGZINKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-4-23-22(25-15-18(3)28-20-9-7-8-17(2)14-20)24-12-11-19-16-27-13-6-5-10-21(27)26-19/h5-10,13-14,16,18H,4,11-12,15H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine?
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[2-(3-methylphenoxy)propyl]guanidine has a molecular weight of 379.51 g/mol, XLogP of 3.21, 8 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-methylphenoxy)propyl]guanidine is sourced from PubChem (CID 111685254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).