4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole

C18H24N2 — CID 54546789

IUPAC4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole
SMILESCc1cccc(C)c1CCCCC=Cc1nc[nH]c1C
InChIInChI=1S/C18H24N2/c1-14-9-8-10-15(2)17(14)11-6-4-5-7-12-18-16(3)19-13-20-18/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyZHBRJAURYUPLDO-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.76
Rot. Bonds6

About 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole

4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole (PubChem CID 54546789) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole
PubChem CID54546789
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole
SMILESCc1cccc(C)c1CCCCC=Cc1nc[nH]c1C
InChIInChI=1S/C18H24N2/c1-14-9-8-10-15(2)17(14)11-6-4-5-7-12-18-16(3)19-13-20-18/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyZHBRJAURYUPLDO-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole (CID 54546789) is 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole is Cc1cccc(C)c1CCCCC=Cc1nc[nH]c1C.
What is the InChIKey of 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole?
The InChIKey is ZHBRJAURYUPLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-9-8-10-15(2)17(14)11-6-4-5-7-12-18-16(3)19-13-20-18/h7-10,12-13H,4-6,11H2,1-3H3,(H,19,20).
What are the key properties of 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole?
4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole has a molecular weight of 268.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 54546789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).