2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole

C16H28F2N2 — CID 146378019

IUPAC2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1F
InChIInChI=1S/C16H28F2N2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)20-15(18)19-13/h4-12H2,1-3H3,(H,19,20)
InChIKeyXELPBDAERYDLIH-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.50
Rot. Bonds10

About 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole

2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (PubChem CID 146378019) has the molecular formula C16H28F2N2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.

Molecular Properties

Compound Name2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
PubChem CID146378019
Molecular FormulaC16H28F2N2
Molecular Weight286.41 g/mol
Exact Mass286.22
IUPAC Name2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1[nH]c(F)nc1F
InChIInChI=1S/C16H28F2N2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)20-15(18)19-13/h4-12H2,1-3H3,(H,19,20)
InChIKeyXELPBDAERYDLIH-UHFFFAOYSA-N
XLogP5.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.50
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 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The IUPAC name of 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (CID 146378019) is 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.
What is the SMILES notation for 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The canonical SMILES for 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is CCCCCCC(C)(CCCCC)c1[nH]c(F)nc1F.
What is the InChIKey of 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The InChIKey is XELPBDAERYDLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2/c1-4-6-8-10-12-16(3,11-9-7-5-2)13-14(17)20-15(18)19-13/h4-12H2,1-3H3,(H,19,20).
What are the key properties of 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole has a molecular weight of 286.41 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is sourced from PubChem (CID 146378019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).