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

C20H26IN5 — CID 111834882

IUPAC2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccc1)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C20H25N5.HI/c1-16-7-6-14-25-15-18(24-19(16)25)11-13-23-20(21-2)22-12-10-17-8-4-3-5-9-17;/h3-9,14-15H,10-13H2,1-2H3,(H2,21,22,23);1H
InChIKeyMXQADZXVQATPDZ-UHFFFAOYSA-N
MW463.37 g/mol
LogP3.21
Rot. Bonds6

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

2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111834882) has the molecular formula C20H26IN5 and a molecular weight of 463.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111834882
Molecular FormulaC20H26IN5
Molecular Weight463.37 g/mol
Exact Mass463.12
IUPAC Name2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccc1)NCCc1cn2cccc(C)c2n1.I
InChIInChI=1S/C20H25N5.HI/c1-16-7-6-14-25-15-18(24-19(16)25)11-13-23-20(21-2)22-12-10-17-8-4-3-5-9-17;/h3-9,14-15H,10-13H2,1-2H3,(H2,21,22,23);1H
InChIKeyMXQADZXVQATPDZ-UHFFFAOYSA-N
XLogP3.21
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111840593
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-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111835136
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
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-ethyl-2-[(2-fluorophenyl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine
CID 111837347
N',3-dimethyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 102559379
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836314
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900088
2-(3-ethoxypropyl)-1-ethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111836404
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)-2,3-dimethylguanidine;hydroiodide
CID 110914604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide (CID 111834882) is 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide is C/N=C(\NCCc1ccccc1)NCCc1cn2cccc(C)c2n1.I.
What is the InChIKey of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is MXQADZXVQATPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5.HI/c1-16-7-6-14-25-15-18(24-19(16)25)11-13-23-20(21-2)22-12-10-17-8-4-3-5-9-17;/h3-9,14-15H,10-13H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide?
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 463.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111834882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).