[(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine

C11H11F6N3 — CID 90263897

IUPAC[(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine
SMILESC=C(/C=C(\C=C1/CN=C(CN)N1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6N3/c1-6(10(12,13)14)2-7(11(15,16)17)3-8-5-19-9(4-18)20-8/h2-3H,1,4-5,18H2,(H,19,20)/b7-2+,8-3+
InChIKeyHQOKFTAMNUIHMA-ZESFLVPWSA-N
MW299.22 g/mol
LogP2.44
Rot. Bonds3

About [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine

[(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine (PubChem CID 90263897) has the molecular formula C11H11F6N3 and a molecular weight of 299.22 g/mol. Its IUPAC name is [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine
PubChem CID90263897
Molecular FormulaC11H11F6N3
Molecular Weight299.22 g/mol
Exact Mass299.09
IUPAC Name[(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine
SMILESC=C(/C=C(\C=C1/CN=C(CN)N1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6N3/c1-6(10(12,13)14)2-7(11(15,16)17)3-8-5-19-9(4-18)20-8/h2-3H,1,4-5,18H2,(H,19,20)/b7-2+,8-3+
InChIKeyHQOKFTAMNUIHMA-ZESFLVPWSA-N
XLogP2.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine?
The IUPAC name of [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine (CID 90263897) is [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine.
What is the SMILES notation for [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine?
The canonical SMILES for [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine is C=C(/C=C(\C=C1/CN=C(CN)N1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine?
The InChIKey is HQOKFTAMNUIHMA-ZESFLVPWSA-N. The full InChI is InChI=1S/C11H11F6N3/c1-6(10(12,13)14)2-7(11(15,16)17)3-8-5-19-9(4-18)20-8/h2-3H,1,4-5,18H2,(H,19,20)/b7-2+,8-3+.
What are the key properties of [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine?
[(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine has a molecular weight of 299.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-5-[(2E)-2,4-bis(trifluoromethyl)penta-2,4-dienylidene]-1,4-dihydroimidazol-2-yl]methanamine is sourced from PubChem (CID 90263897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).