N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine

C13H10F3N3O — CID 162753465

IUPACN-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine
SMILESC=Cc1ncc(-c2cccc(OC(F)(F)F)c2)n1N=C
InChIInChI=1S/C13H10F3N3O/c1-3-12-18-8-11(19(12)17-2)9-5-4-6-10(7-9)20-13(14,15)16/h3-8H,1-2H2
InChIKeyWCYSRMLVXCSEFQ-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.56
Rot. Bonds4

About N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine

N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine (PubChem CID 162753465) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine
PubChem CID162753465
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine
SMILESC=Cc1ncc(-c2cccc(OC(F)(F)F)c2)n1N=C
InChIInChI=1S/C13H10F3N3O/c1-3-12-18-8-11(19(12)17-2)9-5-4-6-10(7-9)20-13(14,15)16/h3-8H,1-2H2
InChIKeyWCYSRMLVXCSEFQ-UHFFFAOYSA-N
XLogP3.56
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine?
The IUPAC name of N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine (CID 162753465) is N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine.
What is the SMILES notation for N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine?
The canonical SMILES for N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine is C=Cc1ncc(-c2cccc(OC(F)(F)F)c2)n1N=C.
What is the InChIKey of N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine?
The InChIKey is WCYSRMLVXCSEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-3-12-18-8-11(19(12)17-2)9-5-4-6-10(7-9)20-13(14,15)16/h3-8H,1-2H2.
What are the key properties of N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine?
N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine has a molecular weight of 281.24 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-5-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]methanimine is sourced from PubChem (CID 162753465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).