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

C17H31FN2 — CID 146376883

IUPAC5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1ncn(C)c1F
InChIInChI=1S/C17H31FN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)15-16(18)20(4)14-19-15/h14H,5-13H2,1-4H3
InChIKeySMCJNNIQHSCSMW-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.37
Rot. Bonds10

About 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole

5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole (PubChem CID 146376883) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
PubChem CID146376883
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1ncn(C)c1F
InChIInChI=1S/C17H31FN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)15-16(18)20(4)14-19-15/h14H,5-13H2,1-4H3
InChIKeySMCJNNIQHSCSMW-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The IUPAC name of 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole (CID 146376883) is 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole.
What is the SMILES notation for 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The canonical SMILES for 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole is CCCCCCC(C)(CCCCC)c1ncn(C)c1F.
What is the InChIKey of 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
The InChIKey is SMCJNNIQHSCSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c1-5-7-9-11-13-17(3,12-10-8-6-2)15-16(18)20(4)14-19-15/h14H,5-13H2,1-4H3.
What are the key properties of 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole?
5-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 5-fluoro-1-methyl-4-(6-methyldodecan-6-yl)imidazole is sourced from PubChem (CID 146376883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).