4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole

C17H31FN2 — CID 146378021

IUPAC4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole
SMILESCCCCCCCC(C)(CCCC)n1cc(F)nc1C
InChIInChI=1S/C17H31FN2/c1-5-7-9-10-11-13-17(4,12-8-6-2)20-14-16(18)19-15(20)3/h14H,5-13H2,1-4H3
InChIKeyZDSJKOVXBLMYPO-UHFFFAOYSA-N
MW282.45 g/mol
LogP5.60
Rot. Bonds10

About 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole

4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole (PubChem CID 146378021) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole
PubChem CID146378021
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole
SMILESCCCCCCCC(C)(CCCC)n1cc(F)nc1C
InChIInChI=1S/C17H31FN2/c1-5-7-9-10-11-13-17(4,12-8-6-2)20-14-16(18)19-15(20)3/h14H,5-13H2,1-4H3
InChIKeyZDSJKOVXBLMYPO-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
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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Related Compounds

2-fluoro-1-(5-methyldodecan-5-yl)imidazole
CID 146378366
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
2-fluoro-5-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378039
5-chloro-3-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377981
5-methyl-1-(5-methyldodecan-5-yl)-3-(trifluoromethyl)pyrazole
CID 146377469
4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole
CID 146377464
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
4-(difluoromethyl)-3-fluoro-5-methyl-1-(5-methyldodecan-5-yl)pyrazole
CID 146379003
5-iodo-4-methyl-1-(5-methyldodecan-5-yl)pyrazole
CID 146376906
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
3,4,5-trichloro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377204

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole?
The IUPAC name of 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole (CID 146378021) is 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole.
What is the SMILES notation for 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole?
The canonical SMILES for 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole is CCCCCCCC(C)(CCCC)n1cc(F)nc1C.
What is the InChIKey of 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole?
The InChIKey is ZDSJKOVXBLMYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c1-5-7-9-10-11-13-17(4,12-8-6-2)20-14-16(18)19-15(20)3/h14H,5-13H2,1-4H3.
What are the key properties of 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole?
4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole has a molecular weight of 282.45 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole is sourced from PubChem (CID 146378021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).