2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine

C17H16F3N5O — CID 111040176

IUPAC2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\CCc1cn2ccccc2n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)26-14-6-4-12(5-7-14)24-16(21)22-9-8-13-11-25-10-2-1-3-15(25)23-13/h1-7,10-11H,8-9H2,(H3,21,22,24)
InChIKeySUMWNNUYCDPIGM-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.20
Rot. Bonds5

About 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine

2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine (PubChem CID 111040176) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
PubChem CID111040176
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\CCc1cn2ccccc2n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)26-14-6-4-12(5-7-14)24-16(21)22-9-8-13-11-25-10-2-1-3-15(25)23-13/h1-7,10-11H,8-9H2,(H3,21,22,24)
InChIKeySUMWNNUYCDPIGM-UHFFFAOYSA-N
XLogP3.20
TPSA76.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111598038
1-(3,5-dimethylphenyl)-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine;hydroiodide
CID 111040143
2-(3-phenylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111024907
2-[2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111025535
2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111039661
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122284041
1-[4-(trifluoromethoxy)phenyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800799
2-[2-(6-methyl-3-pyridinyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111802504
2-[2-(benzenesulfinyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111809859
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
2-[2-(ethylsulfonylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111062587
2-[3-(4-methoxyphenyl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111075901

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
The IUPAC name of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine (CID 111040176) is 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine.
What is the SMILES notation for 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
The canonical SMILES for 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine is N/C(=N\CCc1cn2ccccc2n1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
The InChIKey is SUMWNNUYCDPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c18-17(19,20)26-14-6-4-12(5-7-14)24-16(21)22-9-8-13-11-25-10-2-1-3-15(25)23-13/h1-7,10-11H,8-9H2,(H3,21,22,24).
What are the key properties of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine has a molecular weight of 363.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[4-(trifluoromethoxy)phenyl]guanidine is sourced from PubChem (CID 111040176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).