2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole

C17H31FN2 — CID 146376872

IUPAC2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1cn(C)c(F)n1
InChIInChI=1S/C17H31FN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)15-14-20(4)16(18)19-15/h14H,5-13H2,1-4H3
InChIKeyWZUOSJUVUPJRKU-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.37
Rot. Bonds10

About 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole

2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole (PubChem CID 146376872) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
PubChem CID146376872
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1cn(C)c(F)n1
InChIInChI=1S/C17H31FN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)15-14-20(4)16(18)19-15/h14H,5-13H2,1-4H3
InChIKeyWZUOSJUVUPJRKU-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-Cyclopropyl-5-(2,2-dimethyl-propyl)-1H-imidazole
CID 44345726
5-Hexyl-1-octylimidazol-2-amine;hydrochloride
CID 54752927
5-(2-Methylpropyl)-1-octylimidazol-2-amine;hydrochloride
CID 54752931
5-Hexyl-1-pentylimidazol-2-amine;hydrochloride
CID 56659750
5-(2-Methylpropyl)-1-pentylimidazol-2-amine;hydrochloride
CID 56663227
1-Dodecyl-5-hexylimidazol-2-amine;hydrochloride
CID 56680230
4-(Tert-butyl)-1-methyl-1h-imidazole
CID 22990479
4-Tert-butyl-1-propan-2-ylimidazole
CID 10080747
1,4-Ditert-butylimidazole
CID 10261718

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The IUPAC name of 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole (CID 146376872) is 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole.
What is the SMILES notation for 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The canonical SMILES for 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole is CCCCCCC(C)(CCCCC)c1cn(C)c(F)n1.
What is the InChIKey of 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The InChIKey is WZUOSJUVUPJRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)15-14-20(4)16(18)19-15/h14H,5-13H2,1-4H3.
What are the key properties of 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole has a molecular weight of 282.45 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole is sourced from PubChem (CID 146376872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).