2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole

C15H19F3N2 — CID 168928304

IUPAC2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESC=C(C)/C=C\C(=C/C)c1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C15H19F3N2/c1-6-12(8-7-10(2)3)14-19-13(15(16,17)18)9-20(14)11(4)5/h6-9,11H,2H2,1,3-5H3/b8-7-,12-6+
InChIKeyFLCCNLHMNFYPIK-HRZQEMGZSA-N
MW284.33 g/mol
LogP5.02
Rot. Bonds4

About 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole

2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 168928304) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID168928304
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESC=C(C)/C=C\C(=C/C)c1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C15H19F3N2/c1-6-12(8-7-10(2)3)14-19-13(15(16,17)18)9-20(14)11(4)5/h6-9,11H,2H2,1,3-5H3/b8-7-,12-6+
InChIKeyFLCCNLHMNFYPIK-HRZQEMGZSA-N
XLogP5.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
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 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole (CID 168928304) is 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole is C=C(C)/C=C\C(=C/C)c1nc(C(F)(F)F)cn1C(C)C.
What is the InChIKey of 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is FLCCNLHMNFYPIK-HRZQEMGZSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-6-12(8-7-10(2)3)14-19-13(15(16,17)18)9-20(14)11(4)5/h6-9,11H,2H2,1,3-5H3/b8-7-,12-6+.
What are the key properties of 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole?
2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 284.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-1-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 168928304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).