2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide

C21H28IN5O3 — CID 111835136

IUPAC2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1cn2cccc(C)c2n1)Nc1cc(OC)c(OC)c(OC)c1.I
InChIInChI=1S/C21H27N5O3.HI/c1-14-7-6-10-26-13-15(24-20(14)26)8-9-23-21(22-2)25-16-11-17(27-3)19(29-5)18(12-16)28-4;/h6-7,10-13H,8-9H2,1-5H3,(H2,22,23,25);1H
InChIKeyOLKRRDUISMQVAH-UHFFFAOYSA-N
MW525.39 g/mol
LogP3.52
Rot. Bonds7

About 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide

2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide (PubChem CID 111835136) has the molecular formula C21H28IN5O3 and a molecular weight of 525.39 g/mol. Its IUPAC name is 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
PubChem CID111835136
Molecular FormulaC21H28IN5O3
Molecular Weight525.39 g/mol
Exact Mass525.12
IUPAC Name2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1cn2cccc(C)c2n1)Nc1cc(OC)c(OC)c(OC)c1.I
InChIInChI=1S/C21H27N5O3.HI/c1-14-7-6-10-26-13-15(24-20(14)26)8-9-23-21(22-2)25-16-11-17(27-3)19(29-5)18(12-16)28-4;/h6-7,10-13H,8-9H2,1-5H3,(H2,22,23,25);1H
InChIKeyOLKRRDUISMQVAH-UHFFFAOYSA-N
XLogP3.52
TPSA81.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836314
1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111835870
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111840593
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine
CID 111781162
N',3-dimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 102559379
2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836404
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111837859
1-(2-cyclopropylethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111792516
1-(3-methoxyphenyl)-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111600465
1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109496303
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide (CID 111835136) is 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide is C/N=C(\NCCc1cn2cccc(C)c2n1)Nc1cc(OC)c(OC)c(OC)c1.I.
What is the InChIKey of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
The InChIKey is OLKRRDUISMQVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3.HI/c1-14-7-6-10-26-13-15(24-20(14)26)8-9-23-21(22-2)25-16-11-17(27-3)19(29-5)18(12-16)28-4;/h6-7,10-13H,8-9H2,1-5H3,(H2,22,23,25);1H.
What are the key properties of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide?
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide has a molecular weight of 525.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111835136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).