1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

C17H22IN5O — CID 111779026

IUPAC1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cn2c(C)cccc2n1)NCc1ccco1.I
InChIInChI=1S/C17H21N5O.HI/c1-3-18-17(20-11-15-7-5-9-23-15)19-10-14-12-22-13(2)6-4-8-16(22)21-14;/h4-9,12H,3,10-11H2,1-2H3,(H2,18,19,20);1H
InChIKeyWWCAJLFGYGQACU-UHFFFAOYSA-N
MW439.30 g/mol
LogP3.11
Rot. Bonds5

About 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111779026) has the molecular formula C17H22IN5O and a molecular weight of 439.30 g/mol. Its IUPAC name is 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111779026
Molecular FormulaC17H22IN5O
Molecular Weight439.30 g/mol
Exact Mass439.09
IUPAC Name1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cn2c(C)cccc2n1)NCc1ccco1.I
InChIInChI=1S/C17H21N5O.HI/c1-3-18-17(20-11-15-7-5-9-23-15)19-10-14-12-22-13(2)6-4-8-16(22)21-14;/h4-9,12H,3,10-11H2,1-2H3,(H2,18,19,20);1H
InChIKeyWWCAJLFGYGQACU-UHFFFAOYSA-N
XLogP3.11
TPSA66.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 53.11
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111781287
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779408
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111779982
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111781720
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109417127
1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111783089
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111781629
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 110938971
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111781990
1-ethyl-3-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethyl)guanidine
CID 110938972
1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111786417

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (CID 111779026) is 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1cn2c(C)cccc2n1)NCc1ccco1.I.
What is the InChIKey of 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is WWCAJLFGYGQACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O.HI/c1-3-18-17(20-11-15-7-5-9-23-15)19-10-14-12-22-13(2)6-4-8-16(22)21-14;/h4-9,12H,3,10-11H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 439.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111779026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).