2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine

C20H22F3N5 — CID 111840593

IUPAC2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
SMILESC/N=C(/NCCc1cn2cccc(C)c2n1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N5/c1-14-4-3-11-28-13-17(27-18(14)28)9-10-25-19(24-2)26-12-15-5-7-16(8-6-15)20(21,22)23/h3-8,11,13H,9-10,12H2,1-2H3,(H2,24,25,26)
InChIKeySYMZAJAKMOCNNG-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.57
Rot. Bonds5

About 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine

2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine (PubChem CID 111840593) has the molecular formula C20H22F3N5 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
PubChem CID111840593
Molecular FormulaC20H22F3N5
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
SMILESC/N=C(/NCCc1cn2cccc(C)c2n1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N5/c1-14-4-3-11-28-13-17(27-18(14)28)9-10-25-19(24-2)26-12-15-5-7-16(8-6-15)20(21,22)23/h3-8,11,13H,9-10,12H2,1-2H3,(H2,24,25,26)
InChIKeySYMZAJAKMOCNNG-UHFFFAOYSA-N
XLogP3.57
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.57
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

2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
8-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 117137444
1-[(4-fluorophenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111232571
2-methyl-1-(2-pyridin-3-ylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111419963
1-heptan-2-yl-2-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
CID 111835870
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111844940
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111169337
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111835136
8-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 70111525
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111769441
1-(2-imidazol-1-ylethyl)-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine (CID 111840593) is 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine is C/N=C(/NCCc1cn2cccc(C)c2n1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The InChIKey is SYMZAJAKMOCNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5/c1-14-4-3-11-28-13-17(27-18(14)28)9-10-25-19(24-2)26-12-15-5-7-16(8-6-15)20(21,22)23/h3-8,11,13H,9-10,12H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine has a molecular weight of 389.43 g/mol, XLogP of 3.57, 5 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-[[4-(trifluoromethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111840593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).