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

C16H29FN2 — CID 146377833

IUPAC2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1cnc(F)[nH]1
InChIInChI=1S/C16H29FN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)14-13-18-15(17)19-14/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyOGWRGSBPONOTBG-UHFFFAOYSA-N
MW268.42 g/mol
LogP5.36
Rot. Bonds10

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

2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (PubChem CID 146377833) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.

Molecular Properties

Compound Name2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
PubChem CID146377833
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCCC)c1cnc(F)[nH]1
InChIInChI=1S/C16H29FN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)14-13-18-15(17)19-14/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyOGWRGSBPONOTBG-UHFFFAOYSA-N
XLogP5.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 55.36
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-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The IUPAC name of 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole (CID 146377833) is 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole.
What is the SMILES notation for 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The canonical SMILES for 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is CCCCCCC(C)(CCCCC)c1cnc(F)[nH]1.
What is the InChIKey of 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
The InChIKey is OGWRGSBPONOTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2/c1-4-6-8-10-12-16(3,11-9-7-5-2)14-13-18-15(17)19-14/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole?
2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole has a molecular weight of 268.42 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(6-methyldodecan-6-yl)-1H-imidazole is sourced from PubChem (CID 146377833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).