N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine

C15H14F3N3O — CID 156533727

IUPACN-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine
SMILESC=Nc1nc(C)cn1/C=C(\C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O/c1-10(8-21-9-11(2)20-14(21)19-3)12-4-6-13(7-5-12)22-15(16,17)18/h4-9H,3H2,1-2H3/b10-8+
InChIKeyFILYNWRMUNYIGS-CSKARUKUSA-N
MW309.29 g/mol
LogP4.44
Rot. Bonds4

About N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine

N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine (PubChem CID 156533727) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine.

Molecular Properties

Compound NameN-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine
PubChem CID156533727
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine
SMILESC=Nc1nc(C)cn1/C=C(\C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O/c1-10(8-21-9-11(2)20-14(21)19-3)12-4-6-13(7-5-12)22-15(16,17)18/h4-9H,3H2,1-2H3/b10-8+
InChIKeyFILYNWRMUNYIGS-CSKARUKUSA-N
XLogP4.44
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.44
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-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine?
The IUPAC name of N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine (CID 156533727) is N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine.
What is the SMILES notation for N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine?
The canonical SMILES for N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine is C=Nc1nc(C)cn1/C=C(\C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine?
The InChIKey is FILYNWRMUNYIGS-CSKARUKUSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-10(8-21-9-11(2)20-14(21)19-3)12-4-6-13(7-5-12)22-15(16,17)18/h4-9H,3H2,1-2H3/b10-8+.
What are the key properties of N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine?
N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine has a molecular weight of 309.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]imidazol-2-yl]methanimine is sourced from PubChem (CID 156533727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).