1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

C18H22IN5O — CID 111600465

IUPAC1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2cn3cccc(C)c3n2)c1.I
InChIInChI=1S/C18H21N5O.HI/c1-13-5-4-10-23-12-15(21-17(13)23)8-9-20-18(19)22-14-6-3-7-16(11-14)24-2;/h3-7,10-12H,8-9H2,1-2H3,(H3,19,20,22);1H
InChIKeyVFDSNBWMYVJYJA-UHFFFAOYSA-N
MW451.31 g/mol
LogP3.24
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111600465) has the molecular formula C18H22IN5O and a molecular weight of 451.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
PubChem CID111600465
Molecular FormulaC18H22IN5O
Molecular Weight451.31 g/mol
Exact Mass451.09
IUPAC Name1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2cn3cccc(C)c3n2)c1.I
InChIInChI=1S/C18H21N5O.HI/c1-13-5-4-10-23-12-15(21-17(13)23)8-9-20-18(19)22-14-6-3-7-16(11-14)24-2;/h3-7,10-12H,8-9H2,1-2H3,(H3,19,20,22);1H
InChIKeyVFDSNBWMYVJYJA-UHFFFAOYSA-N
XLogP3.24
TPSA76.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 53.24
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

2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 111549378
2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-propan-2-ylguanidine
CID 111600500
1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111043095
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111097048
2-[2-(1-benzofuran-2-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111818103
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111806731
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040143
1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975479
1-(3-methoxyphenyl)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]guanidine;hydroiodide
CID 111037221

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (CID 111600465) is 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is COc1cccc(N/C(N)=N/CCc2cn3cccc(C)c3n2)c1.I.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is VFDSNBWMYVJYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.HI/c1-13-5-4-10-23-12-15(21-17(13)23)8-9-20-18(19)22-14-6-3-7-16(11-14)24-2;/h3-7,10-12H,8-9H2,1-2H3,(H3,19,20,22);1H.
What are the key properties of 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?
1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 451.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111600465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).