(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole

C12H17F3N2 — CID 146359507

IUPAC(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
SMILESCCC1=NC/C(=C\C=C(/CC)C(F)(F)F)N1C
InChIInChI=1S/C12H17F3N2/c1-4-9(12(13,14)15)6-7-10-8-16-11(5-2)17(10)3/h6-7H,4-5,8H2,1-3H3/b9-6+,10-7+
InChIKeyDTDWPFPHOIESGF-KZZDLZNXSA-N
MW246.28 g/mol
LogP3.52
Rot. Bonds3

About (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole

(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole (PubChem CID 146359507) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole.

Molecular Properties

Compound Name(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
PubChem CID146359507
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
SMILESCCC1=NC/C(=C\C=C(/CC)C(F)(F)F)N1C
InChIInChI=1S/C12H17F3N2/c1-4-9(12(13,14)15)6-7-10-8-16-11(5-2)17(10)3/h6-7H,4-5,8H2,1-3H3/b9-6+,10-7+
InChIKeyDTDWPFPHOIESGF-KZZDLZNXSA-N
XLogP3.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole?
The IUPAC name of (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole (CID 146359507) is (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole.
What is the SMILES notation for (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole?
The canonical SMILES for (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole is CCC1=NC/C(=C\C=C(/CC)C(F)(F)F)N1C.
What is the InChIKey of (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole?
The InChIKey is DTDWPFPHOIESGF-KZZDLZNXSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-4-9(12(13,14)15)6-7-10-8-16-11(5-2)17(10)3/h6-7H,4-5,8H2,1-3H3/b9-6+,10-7+.
What are the key properties of (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole?
(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole has a molecular weight of 246.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole is sourced from PubChem (CID 146359507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).