1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide

C12H22IN5O — CID 119121242

IUPAC1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1cn2c(n1)CCCC2.I
InChIInChI=1S/C12H21N5O.HI/c1-18-7-5-14-12(13)15-8-10-9-17-6-3-2-4-11(17)16-10;/h9H,2-8H2,1H3,(H3,13,14,15);1H
InChIKeySWOLSEMLLMQIDB-UHFFFAOYSA-N
MW379.25 g/mol
LogP0.89
Rot. Bonds5

About 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide

1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119121242) has the molecular formula C12H22IN5O and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID119121242
Molecular FormulaC12H22IN5O
Molecular Weight379.25 g/mol
Exact Mass379.09
IUPAC Name1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1cn2c(n1)CCCC2.I
InChIInChI=1S/C12H21N5O.HI/c1-18-7-5-14-12(13)15-8-10-9-17-6-3-2-4-11(17)16-10;/h9H,2-8H2,1H3,(H3,13,14,15);1H
InChIKeySWOLSEMLLMQIDB-UHFFFAOYSA-N
XLogP0.89
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 50.89
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-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121272
1-(oxolan-2-ylmethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121240
1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121281
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119121254
1-(4-butan-2-ylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121251
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955498
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanol
CID 67473277
3-(methoxymethyl)-N'-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143503
1-(2-methoxyethyl)-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]guanidine
CID 110935162
2-methyl-1-prop-2-enyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 119116272
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]benzamide
CID 42950879

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide (CID 119121242) is 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide is COCCN/C(N)=N/Cc1cn2c(n1)CCCC2.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is SWOLSEMLLMQIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O.HI/c1-18-7-5-14-12(13)15-8-10-9-17-6-3-2-4-11(17)16-10;/h9H,2-8H2,1H3,(H3,13,14,15);1H.
What are the key properties of 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide?
1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 379.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119121242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).