3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine

C21H27N5 — CID 111287009

IUPAC3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N(C)Cc1ccccc1C
InChIInChI=1S/C21H27N5/c1-4-22-21(25(3)15-18-10-6-5-9-17(18)2)23-13-12-19-16-26-14-8-7-11-20(26)24-19/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,22,23)
InChIKeyRKMISDPMYPZQEZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.28
Rot. Bonds6

About 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine

3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine (PubChem CID 111287009) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine
PubChem CID111287009
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine
SMILESCCN/C(=N\CCc1cn2ccccc2n1)N(C)Cc1ccccc1C
InChIInChI=1S/C21H27N5/c1-4-22-21(25(3)15-18-10-6-5-9-17(18)2)23-13-12-19-16-26-14-8-7-11-20(26)24-19/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,22,23)
InChIKeyRKMISDPMYPZQEZ-UHFFFAOYSA-N
XLogP3.28
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
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

N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide
CID 111010087
N,N-diethyl-2-[[N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010086
3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383509
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 111514338
4-acetyl-N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963476
1-cyclohexyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 110958559
1-cyclopentyl-3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 110991788
3-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111287493
3-ethyl-2-(3-methoxypropyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111287588
methyl 3-[[ethylamino-[methyl-[(2-methylphenyl)methyl]amino]methylidene]amino]propanoate;hydroiodide
CID 111287458
2-[2-(diethylsulfamoyl)ethyl]-3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111980201
3-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methyl-1-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111286884

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine (CID 111287009) is 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine is CCN/C(=N\CCc1cn2ccccc2n1)N(C)Cc1ccccc1C.
What is the InChIKey of 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine?
The InChIKey is RKMISDPMYPZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-4-22-21(25(3)15-18-10-6-5-9-17(18)2)23-13-12-19-16-26-14-8-7-11-20(26)24-19/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,22,23).
What are the key properties of 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine?
3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine has a molecular weight of 349.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 111287009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).