4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole

C18H33FN2 — CID 146376816

IUPAC4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1c(F)nc(C)n1C
InChIInChI=1S/C18H33FN2/c1-6-8-10-12-14-18(4,13-11-9-7-2)16-17(19)20-15(3)21(16)5/h6-14H2,1-5H3
InChIKeyUPFTWPSKRJGJNU-UHFFFAOYSA-N
MW296.47 g/mol
LogP5.68
Rot. Bonds10

About 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole

4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole (PubChem CID 146376816) has the molecular formula C18H33FN2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole.

Molecular Properties

Compound Name4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole
PubChem CID146376816
Molecular FormulaC18H33FN2
Molecular Weight296.47 g/mol
Exact Mass296.26
IUPAC Name4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole
SMILESCCCCCCC(C)(CCCCC)c1c(F)nc(C)n1C
InChIInChI=1S/C18H33FN2/c1-6-8-10-12-14-18(4,13-11-9-7-2)16-17(19)20-15(3)21(16)5/h6-14H2,1-5H3
InChIKeyUPFTWPSKRJGJNU-UHFFFAOYSA-N
XLogP5.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.47
LogP ≤ 55.68
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 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole?
The IUPAC name of 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole (CID 146376816) is 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole.
What is the SMILES notation for 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole?
The canonical SMILES for 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole is CCCCCCC(C)(CCCCC)c1c(F)nc(C)n1C.
What is the InChIKey of 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole?
The InChIKey is UPFTWPSKRJGJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2/c1-6-8-10-12-14-18(4,13-11-9-7-2)16-17(19)20-15(3)21(16)5/h6-14H2,1-5H3.
What are the key properties of 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole?
4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole has a molecular weight of 296.47 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,2-dimethyl-5-(6-methyldodecan-6-yl)imidazole is sourced from PubChem (CID 146376816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).