1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

C20H26IN5O2 — CID 111787430

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccc(OC)cc1)NCc1cn2c(C)cccc2n1.I
InChIInChI=1S/C20H25N5O2.HI/c1-15-5-4-6-19-24-16(14-25(15)19)13-23-20(21-2)22-11-12-27-18-9-7-17(26-3)8-10-18;/h4-10,14H,11-13H2,1-3H3,(H2,21,22,23);1H
InChIKeyAPLHYWZCPUMDAT-UHFFFAOYSA-N
MW495.37 g/mol
LogP3.01
Rot. Bonds7

About 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111787430) has the molecular formula C20H26IN5O2 and a molecular weight of 495.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111787430
Molecular FormulaC20H26IN5O2
Molecular Weight495.37 g/mol
Exact Mass495.11
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOc1ccc(OC)cc1)NCc1cn2c(C)cccc2n1.I
InChIInChI=1S/C20H25N5O2.HI/c1-15-5-4-6-19-24-16(14-25(15)19)13-23-20(21-2)22-11-12-27-18-9-7-17(26-3)8-10-18;/h4-10,14H,11-13H2,1-3H3,(H2,21,22,23);1H
InChIKeyAPLHYWZCPUMDAT-UHFFFAOYSA-N
XLogP3.01
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-methoxyphenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111783311
1-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111784067
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111787077
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111783620
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109432154
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111783819
2-methyl-1-(5-methylhexan-2-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111782358
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111785626
2-methyl-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111787729
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111785627
1-[3-(4-methoxyphenoxy)propyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182264
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111409988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide (CID 111787430) is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is C/N=C(\NCCOc1ccc(OC)cc1)NCc1cn2c(C)cccc2n1.I.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is APLHYWZCPUMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.HI/c1-15-5-4-6-19-24-16(14-25(15)19)13-23-20(21-2)22-11-12-27-18-9-7-17(26-3)8-10-18;/h4-10,14H,11-13H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide?
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 495.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111787430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).