2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole

C13H19F3N2 — CID 11161280

IUPAC2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCC(C)=CCCC(C)Cc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H19F3N2/c1-9(2)5-4-6-10(3)7-12-17-8-11(18-12)13(14,15)16/h5,8,10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyPULQXRCSWKSPFZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.35
Rot. Bonds5

About 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole

2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 11161280) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID11161280
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCC(C)=CCCC(C)Cc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H19F3N2/c1-9(2)5-4-6-10(3)7-12-17-8-11(18-12)13(14,15)16/h5,8,10H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyPULQXRCSWKSPFZ-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole (CID 11161280) is 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole is CC(C)=CCCC(C)Cc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is PULQXRCSWKSPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-9(2)5-4-6-10(3)7-12-17-8-11(18-12)13(14,15)16/h5,8,10H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole?
2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 260.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 11161280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).