(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole

C12H15F3N2 — CID 89199717

IUPAC(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole
SMILESC=C(C)/C=C(C)\C=C1/CN=C(CC(F)(F)F)N1
InChIInChI=1S/C12H15F3N2/c1-8(2)4-9(3)5-10-7-16-11(17-10)6-12(13,14)15/h4-5H,1,6-7H2,2-3H3,(H,16,17)/b9-4-,10-5+
InChIKeyWOAUSEMNEPIJNI-DHPVUTNOSA-N
MW244.26 g/mol
LogP3.35
Rot. Bonds3

About (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole

(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole (PubChem CID 89199717) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole.

Molecular Properties

Compound Name(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole
PubChem CID89199717
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole
SMILESC=C(C)/C=C(C)\C=C1/CN=C(CC(F)(F)F)N1
InChIInChI=1S/C12H15F3N2/c1-8(2)4-9(3)5-10-7-16-11(17-10)6-12(13,14)15/h4-5H,1,6-7H2,2-3H3,(H,16,17)/b9-4-,10-5+
InChIKeyWOAUSEMNEPIJNI-DHPVUTNOSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole?
The IUPAC name of (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole (CID 89199717) is (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole.
What is the SMILES notation for (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole?
The canonical SMILES for (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole is C=C(C)/C=C(C)\C=C1/CN=C(CC(F)(F)F)N1.
What is the InChIKey of (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole?
The InChIKey is WOAUSEMNEPIJNI-DHPVUTNOSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-8(2)4-9(3)5-10-7-16-11(17-10)6-12(13,14)15/h4-5H,1,6-7H2,2-3H3,(H,16,17)/b9-4-,10-5+.
What are the key properties of (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole?
(5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole has a molecular weight of 244.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazole is sourced from PubChem (CID 89199717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).