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

C16H29FN2 — CID 146378366

IUPAC2-fluoro-1-(5-methyldodecan-5-yl)imidazole
SMILESCCCCCCCC(C)(CCCC)n1ccnc1F
InChIInChI=1S/C16H29FN2/c1-4-6-8-9-10-12-16(3,11-7-5-2)19-14-13-18-15(19)17/h13-14H,4-12H2,1-3H3
InChIKeyULTFESMUELLAME-UHFFFAOYSA-N
MW268.42 g/mol
LogP5.29
Rot. Bonds10

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

2-fluoro-1-(5-methyldodecan-5-yl)imidazole (PubChem CID 146378366) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-fluoro-1-(5-methyldodecan-5-yl)imidazole.

Molecular Properties

Compound Name2-fluoro-1-(5-methyldodecan-5-yl)imidazole
PubChem CID146378366
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name2-fluoro-1-(5-methyldodecan-5-yl)imidazole
SMILESCCCCCCCC(C)(CCCC)n1ccnc1F
InChIInChI=1S/C16H29FN2/c1-4-6-8-9-10-12-16(3,11-7-5-2)19-14-13-18-15(19)17/h13-14H,4-12H2,1-3H3
InChIKeyULTFESMUELLAME-UHFFFAOYSA-N
XLogP5.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 55.29
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-5-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378039
4-fluoro-2-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378021
5-chloro-3-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377981
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
4-fluoro-1-(7-methyltetradecan-7-yl)-3-(trifluoromethyl)pyrazole
CID 146377464
4-iodo-5-methoxy-1-(6-methyltridecan-6-yl)imidazole
CID 146378503
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
5-bromo-3-(difluoromethyl)-4-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146378980
2-butyl-2-methyl-1-(1-methylimidazol-2-yl)octan-1-one
CID 166688688
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyloctan-1-amine
CID 63015153
4-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 167267822

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(5-methyldodecan-5-yl)imidazole?
The IUPAC name of 2-fluoro-1-(5-methyldodecan-5-yl)imidazole (CID 146378366) is 2-fluoro-1-(5-methyldodecan-5-yl)imidazole.
What is the SMILES notation for 2-fluoro-1-(5-methyldodecan-5-yl)imidazole?
The canonical SMILES for 2-fluoro-1-(5-methyldodecan-5-yl)imidazole is CCCCCCCC(C)(CCCC)n1ccnc1F.
What is the InChIKey of 2-fluoro-1-(5-methyldodecan-5-yl)imidazole?
The InChIKey is ULTFESMUELLAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2/c1-4-6-8-9-10-12-16(3,11-7-5-2)19-14-13-18-15(19)17/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-fluoro-1-(5-methyldodecan-5-yl)imidazole?
2-fluoro-1-(5-methyldodecan-5-yl)imidazole has a molecular weight of 268.42 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(5-methyldodecan-5-yl)imidazole is sourced from PubChem (CID 146378366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).