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

C18H24N2 — CID 54188132

IUPAC4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole
SMILESCC(=CCCCc1c(C)cccc1C)c1nc[nH]c1C
InChIInChI=1S/C18H24N2/c1-13-9-7-10-14(2)17(13)11-6-5-8-15(3)18-16(4)19-12-20-18/h7-10,12H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyPGONGZHLDAJVCD-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.76
Rot. Bonds5

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

4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole (PubChem CID 54188132) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole
PubChem CID54188132
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole
SMILESCC(=CCCCc1c(C)cccc1C)c1nc[nH]c1C
InChIInChI=1S/C18H24N2/c1-13-9-7-10-14(2)17(13)11-6-5-8-15(3)18-16(4)19-12-20-18/h7-10,12H,5-6,11H2,1-4H3,(H,19,20)
InChIKeyPGONGZHLDAJVCD-UHFFFAOYSA-N
XLogP4.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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'}

Analyze 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(2,6-dimethylphenyl)hex-1-enyl]-5-methyl-1H-imidazole
CID 54546789
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
1-(5-methyl-1H-imidazol-4-yl)propane-1-thione
CID 54568061
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
3-(2,6-dimethylphenyl)propanal
CID 73014071
4-[5-(2,6-dimethylphenyl)pent-1-enyl]-1-ethylimidazole
CID 54021761
2-[(Z)-hept-2-en-2-yl]-3-methylbenzoic acid
CID 70251961
N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
5-[3-(2,6-dimethylphenyl)-2-methylprop-1-enyl]-1H-imidazole
CID 54135198
N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide
CID 136645011
2-(3-chloropropyl)-1-fluoro-3-methylbenzene
CID 118802920

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole?
The IUPAC name of 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole (CID 54188132) is 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole is CC(=CCCCc1c(C)cccc1C)c1nc[nH]c1C.
What is the InChIKey of 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole?
The InChIKey is PGONGZHLDAJVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-9-7-10-14(2)17(13)11-6-5-8-15(3)18-16(4)19-12-20-18/h7-10,12H,5-6,11H2,1-4H3,(H,19,20).
What are the key properties of 4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole?
4-[6-(2,6-dimethylphenyl)hex-2-en-2-yl]-5-methyl-1H-imidazole has a molecular weight of 268.40 g/mol, XLogP of 4.76, 5 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-2-en-2-yl]-5-methyl-1H-imidazole is sourced from PubChem (CID 54188132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).