N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine

C12H16F3N3 — CID 146647094

IUPACN-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine
SMILESC=Nc1c(/C=C(\C)C(F)(F)F)nc(C(C)C)n1C
InChIInChI=1S/C12H16F3N3/c1-7(2)10-17-9(11(16-4)18(10)5)6-8(3)12(13,14)15/h6-7H,4H2,1-3,5H3/b8-6+
InChIKeyZMJKUTOOOAILGG-SOFGYWHQSA-N
MW259.28 g/mol
LogP3.84
Rot. Bonds3

About N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine

N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine (PubChem CID 146647094) has the molecular formula C12H16F3N3 and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine.

Molecular Properties

Compound NameN-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine
PubChem CID146647094
Molecular FormulaC12H16F3N3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC NameN-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine
SMILESC=Nc1c(/C=C(\C)C(F)(F)F)nc(C(C)C)n1C
InChIInChI=1S/C12H16F3N3/c1-7(2)10-17-9(11(16-4)18(10)5)6-8(3)12(13,14)15/h6-7H,4H2,1-3,5H3/b8-6+
InChIKeyZMJKUTOOOAILGG-SOFGYWHQSA-N
XLogP3.84
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine?
The IUPAC name of N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine (CID 146647094) is N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine.
What is the SMILES notation for N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine?
The canonical SMILES for N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine is C=Nc1c(/C=C(\C)C(F)(F)F)nc(C(C)C)n1C.
What is the InChIKey of N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine?
The InChIKey is ZMJKUTOOOAILGG-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-7(2)10-17-9(11(16-4)18(10)5)6-8(3)12(13,14)15/h6-7H,4H2,1-3,5H3/b8-6+.
What are the key properties of N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine?
N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine has a molecular weight of 259.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-propan-2-yl-5-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]imidazol-4-yl]methanimine is sourced from PubChem (CID 146647094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).