4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione

C14H21FN2S — CID 142833272

IUPAC4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione
SMILESC/C(=C\CCCCc1c[nH]c(=S)[nH]1)C/C=C\CF
InChIInChI=1S/C14H21FN2S/c1-12(8-5-6-10-15)7-3-2-4-9-13-11-16-14(18)17-13/h5-7,11H,2-4,8-10H2,1H3,(H2,16,17,18)/b6-5-,12-7+
InChIKeyICJMURRIODIOPL-UNKATYBDSA-N
MW268.40 g/mol
LogP4.65
Rot. Bonds8

About 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione

4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione (PubChem CID 142833272) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione
PubChem CID142833272
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione
SMILESC/C(=C\CCCCc1c[nH]c(=S)[nH]1)C/C=C\CF
InChIInChI=1S/C14H21FN2S/c1-12(8-5-6-10-15)7-3-2-4-9-13-11-16-14(18)17-13/h5-7,11H,2-4,8-10H2,1H3,(H2,16,17,18)/b6-5-,12-7+
InChIKeyICJMURRIODIOPL-UNKATYBDSA-N
XLogP4.65
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione with MolForge

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Related Compounds

4-[[(1S)-2-[(2E,4E)-1,5-difluorohexa-2,4-dien-3-yl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 143208224
4-[[2-(3-Fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 143208303
4-[(2-Methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11543017
2H-Imidazole-2-thione, 4-[(2-ethyl-2-cyclohexen-1-YL)methyl]-1,3-dihydro-
CID 11572105
4-[(4-Methylcyclohex-3-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 21986059
4-[[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 23549524
4-[(2-Methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 59679583
4-[(1R)-1-(5,6-dimethylcyclohexa-2,4-dien-1-yl)ethyl]-1,3-dihydroimidazole-2-thione
CID 71082101
4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione
CID 88917640
4-[(2Z)-2-(2-methylprop-1-enyl)penta-2,4-dienyl]-1,3-dihydroimidazole-2-thione
CID 89317928
2-fluorobut-1-ene;4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione
CID 142833271
But-1-ene;4-[(2,3-dimethylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione;ethane
CID 142833292

Frequently Asked Questions

What is the IUPAC name of 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione (CID 142833272) is 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione is C/C(=C\CCCCc1c[nH]c(=S)[nH]1)C/C=C\CF.
What is the InChIKey of 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is ICJMURRIODIOPL-UNKATYBDSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-12(8-5-6-10-15)7-3-2-4-9-13-11-16-14(18)17-13/h5-7,11H,2-4,8-10H2,1H3,(H2,16,17,18)/b6-5-,12-7+.
What are the key properties of 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione?
4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 268.40 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 142833272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).