1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine

C22H25N5O — CID 111602513

IUPAC1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1oc2ccccc2c1C)NCCc1cn2ccccc2n1
InChIInChI=1S/C22H25N5O/c1-3-23-22(24-12-11-17-15-27-13-7-6-10-21(27)26-17)25-14-20-16(2)18-8-4-5-9-19(18)28-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H2,23,24,25)
InChIKeyHMAAOZXXHZGGNU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.69
Rot. Bonds6

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

1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine (PubChem CID 111602513) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
PubChem CID111602513
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1oc2ccccc2c1C)NCCc1cn2ccccc2n1
InChIInChI=1S/C22H25N5O/c1-3-23-22(24-12-11-17-15-27-13-7-6-10-21(27)26-17)25-14-20-16(2)18-8-4-5-9-19(18)28-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H2,23,24,25)
InChIKeyHMAAOZXXHZGGNU-UHFFFAOYSA-N
XLogP3.69
TPSA66.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.69
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-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111602489
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111592394
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111705670
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-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216606
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111850667
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111903884
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111603544
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111663691
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
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111843735

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine (CID 111602513) is 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine is CCN/C(=N\Cc1oc2ccccc2c1C)NCCc1cn2ccccc2n1.
What is the InChIKey of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
The InChIKey is HMAAOZXXHZGGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-23-22(24-12-11-17-15-27-13-7-6-10-21(27)26-17)25-14-20-16(2)18-8-4-5-9-19(18)28-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
1-ethyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine has a molecular weight of 375.48 g/mol, XLogP of 3.69, 6 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-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine is sourced from PubChem (CID 111602513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).