1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole

C17H19F3N2 — CID 91135104

IUPAC1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole
SMILESCCC=CC(C)c1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2/c1-4-5-6-12(2)14-7-15(17(18,19)20)9-16(8-14)22-10-13(3)21-11-22/h5-12H,4H2,1-3H3
InChIKeyUZZYMCRMKJRWDJ-UHFFFAOYSA-N
MW308.35 g/mol
LogP5.27
Rot. Bonds4

About 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole

1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole (PubChem CID 91135104) has the molecular formula C17H19F3N2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole.

Molecular Properties

Compound Name1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole
PubChem CID91135104
Molecular FormulaC17H19F3N2
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole
SMILESCCC=CC(C)c1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N2/c1-4-5-6-12(2)14-7-15(17(18,19)20)9-16(8-14)22-10-13(3)21-11-22/h5-12H,4H2,1-3H3
InChIKeyUZZYMCRMKJRWDJ-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.35
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-ethyl-5-(trifluoromethyl)phenyl]-4-methylimidazole
CID 67891313
N-tert-butyl-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
CID 166898562
1-chloro-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]propan-2-ol
CID 168636468
N-hydroxy-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 122698167
ethane;4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole
CID 143370864
N-(fluoromethyl)aniline;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
CID 162235773
3-(4-methylimidazol-1-yl)-5-propan-2-ylpyridine
CID 90775297
3-tert-butyl-5-(4-methylimidazol-1-yl)aniline
CID 71743860
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 177380087
N-(3-formyl-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 86660458
4-butyl-3-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 165142665
4-(difluoromethyl)-3-formyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167436045

Frequently Asked Questions

What is the IUPAC name of 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole?
The IUPAC name of 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole (CID 91135104) is 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole.
What is the SMILES notation for 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole?
The canonical SMILES for 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole is CCC=CC(C)c1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole?
The InChIKey is UZZYMCRMKJRWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2/c1-4-5-6-12(2)14-7-15(17(18,19)20)9-16(8-14)22-10-13(3)21-11-22/h5-12H,4H2,1-3H3.
What are the key properties of 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole?
1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole has a molecular weight of 308.35 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hex-3-en-2-yl-5-(trifluoromethyl)phenyl]-4-methylimidazole is sourced from PubChem (CID 91135104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).