1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole

C10H11F3N2 — CID 154953410

IUPAC1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole
SMILESC=C/C=C(\C)c1cn(C)c(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2/c1-4-5-7(2)8-6-15(3)9(14-8)10(11,12)13/h4-6H,1H2,2-3H3/b7-5+
InChIKeyMLUJUZUHWWJVSP-FNORWQNLSA-N
MW216.21 g/mol
LogP3.03
Rot. Bonds2

About 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole

1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole (PubChem CID 154953410) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole
PubChem CID154953410
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole
SMILESC=C/C=C(\C)c1cn(C)c(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2/c1-4-5-7(2)8-6-15(3)9(14-8)10(11,12)13/h4-6H,1H2,2-3H3/b7-5+
InChIKeyMLUJUZUHWWJVSP-FNORWQNLSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.03
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 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole (CID 154953410) is 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole is C=C/C=C(\C)c1cn(C)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole?
The InChIKey is MLUJUZUHWWJVSP-FNORWQNLSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-4-5-7(2)8-6-15(3)9(14-8)10(11,12)13/h4-6H,1H2,2-3H3/b7-5+.
What are the key properties of 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole?
1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole has a molecular weight of 216.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 154953410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).