2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

C19H22ClN5 — CID 111781629

IUPAC2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(Cl)c1)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C19H22ClN5/c1-3-21-19(22-11-15-7-5-8-16(20)10-15)23-12-17-13-25-14(2)6-4-9-18(25)24-17/h4-10,13H,3,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyRIYOYVIUHJSHCU-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.55
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (PubChem CID 111781629) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
PubChem CID111781629
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(Cl)c1)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C19H22ClN5/c1-3-21-19(22-11-15-7-5-8-16(20)10-15)23-12-17-13-25-14(2)6-4-9-18(25)24-17/h4-10,13H,3,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyRIYOYVIUHJSHCU-UHFFFAOYSA-N
XLogP3.55
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.55
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'}

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Related Compounds

1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111786417
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 109492782
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 111781720
1-ethyl-3-(furan-2-ylmethyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111779026
1-butyl-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111781287
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779408
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111176022
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 109417127
1-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111781990
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111176640
1-(3-butoxypropyl)-3-ethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111783089
3-[[[N'-[(3-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111175891

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (CID 111781629) is 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is CCN/C(=N\Cc1cccc(Cl)c1)NCc1cn2c(C)cccc2n1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The InChIKey is RIYOYVIUHJSHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-3-21-19(22-11-15-7-5-8-16(20)10-15)23-12-17-13-25-14(2)6-4-9-18(25)24-17/h4-10,13H,3,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine has a molecular weight of 355.87 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is sourced from PubChem (CID 111781629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).