(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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Related Compounds

N,N-diethyl-5-methyl-6-(trifluoromethyl)-3H-azepin-2-amine
CID 172418771
(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole
CID 89199717
3-[(4E)-4-(2,3-difluorobut-2-enylidene)-1-ethyl-5-methylideneimidazol-2-yl]-5,6-dihydro-2H-azepine
CID 123482005
(4Z,5E)-4-(1-fluoroethylidene)-2-methyl-1-propan-2-yl-5-propylideneimidazole
CID 135162214
(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
CID 146359447
6-(1,1-difluoroethyl)-2,3-dimethyl-7H-cyclohepta[d]imidazole
CID 146359471
1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole
CID 146359473
[(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane
CID 146359502
2-ethyl-1-methyl-5-(trifluoromethyl)-8,8a-dihydro-7H-cyclohepta[d]imidazole
CID 146359504
2,3-dimethyl-6-(trifluoromethyl)-7H-cyclohepta[d]imidazole
CID 146359516
4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
N-ethyl-N-pentan-2-yl-N'-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
CID 167204658

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).