5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole

C15H17F3N2O — CID 170752794

IUPAC5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole
SMILESC=C/C=C(\C=C)Cc1cnc(C2CC(OC(F)(F)F)C2)[nH]1
InChIInChI=1S/C15H17F3N2O/c1-3-5-10(4-2)6-12-9-19-14(20-12)11-7-13(8-11)21-15(16,17)18/h3-5,9,11,13H,1-2,6-8H2,(H,19,20)/b10-5+
InChIKeyZKBRXJVVEOQINV-BJMVGYQFSA-N
MW298.31 g/mol
LogP4.03
Rot. Bonds6

About 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole

5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole (PubChem CID 170752794) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole
PubChem CID170752794
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole
SMILESC=C/C=C(\C=C)Cc1cnc(C2CC(OC(F)(F)F)C2)[nH]1
InChIInChI=1S/C15H17F3N2O/c1-3-5-10(4-2)6-12-9-19-14(20-12)11-7-13(8-11)21-15(16,17)18/h3-5,9,11,13H,1-2,6-8H2,(H,19,20)/b10-5+
InChIKeyZKBRXJVVEOQINV-BJMVGYQFSA-N
XLogP4.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.03
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 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole?
The IUPAC name of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole (CID 170752794) is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole.
What is the SMILES notation for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole?
The canonical SMILES for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole is C=C/C=C(\C=C)Cc1cnc(C2CC(OC(F)(F)F)C2)[nH]1.
What is the InChIKey of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole?
The InChIKey is ZKBRXJVVEOQINV-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-3-5-10(4-2)6-12-9-19-14(20-12)11-7-13(8-11)21-15(16,17)18/h3-5,9,11,13H,1-2,6-8H2,(H,19,20)/b10-5+.
What are the key properties of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole?
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole has a molecular weight of 298.31 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-[3-(trifluoromethoxy)cyclobutyl]-1H-imidazole is sourced from PubChem (CID 170752794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).