2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole

C16H28FIN2 — CID 146377853

IUPAC2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1I
InChIInChI=1S/C16H28FIN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(18)20-15(17)19-13/h4-12H2,1-3H3,(H,19,20)
InChIKeyFNMVWFVMLAWVHT-UHFFFAOYSA-N
MW394.32 g/mol
LogP5.96
Rot. Bonds10

About 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole

2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole (PubChem CID 146377853) has the molecular formula C16H28FIN2 and a molecular weight of 394.32 g/mol. Its IUPAC name is 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole
PubChem CID146377853
Molecular FormulaC16H28FIN2
Molecular Weight394.32 g/mol
Exact Mass394.13
IUPAC Name2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1I
InChIInChI=1S/C16H28FIN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(18)20-15(17)19-13/h4-12H2,1-3H3,(H,19,20)
InChIKeyFNMVWFVMLAWVHT-UHFFFAOYSA-N
XLogP5.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.32
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2-fluoro-4-iodo-1H-imidazole
CID 146376814
2-Fluoro-5-iodo-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146376885
4-bromo-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146376889
2-fluoro-5-methyl-4-(6-methyldodecan-6-yl)-1H-imidazole
CID 146376892
2-Fluoro-4-iodo-1-methyl-5-(6-methyldodecan-6-yl)imidazole
CID 146377740
4-chloro-2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377845
4-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146377970
2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
CID 146378019
2-(2-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 66722832
4-tert-butyl-2,5-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722853
4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
CID 66722858
4-tert-butyl-2-(2-methylheptan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 66722887

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole?
The IUPAC name of 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole (CID 146377853) is 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole.
What is the SMILES notation for 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole?
The canonical SMILES for 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole is CCCCCCC(C)(CCCCC)c1[nH]c(F)nc1I.
What is the InChIKey of 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole?
The InChIKey is FNMVWFVMLAWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FIN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(18)20-15(17)19-13/h4-12H2,1-3H3,(H,19,20).
What are the key properties of 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole?
2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole has a molecular weight of 394.32 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-5-(6-methyldodecan-6-yl)-1H-imidazole is sourced from PubChem (CID 146377853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).