4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione

C15H17FN2S — CID 143208303

IUPAC4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
SMILESFC1C=C(C2=CCCC2Cc2c[nH]c(=S)[nH]2)C=CC1
InChIInChI=1S/C15H17FN2S/c16-12-5-1-3-10(7-12)14-6-2-4-11(14)8-13-9-17-15(19)18-13/h1,3,6-7,9,11-12H,2,4-5,8H2,(H2,17,18,19)
InChIKeyYDRNFTWLLADVDS-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.18
Rot. Bonds3

About 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione

4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 143208303) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
PubChem CID143208303
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
SMILESFC1C=C(C2=CCCC2Cc2c[nH]c(=S)[nH]2)C=CC1
InChIInChI=1S/C15H17FN2S/c16-12-5-1-3-10(7-12)14-6-2-4-11(14)8-13-9-17-15(19)18-13/h1,3,6-7,9,11-12H,2,4-5,8H2,(H2,17,18,19)
InChIKeyYDRNFTWLLADVDS-UHFFFAOYSA-N
XLogP4.18
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclopent-3-en-1-ylmethyl)-1H-imidazole-2(3H)-thione
CID 9815415
4-[(5-Fluoro-1,2,3,6-tetrahydroazulen-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 142833296
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-(6-Fluorocyclohexa-1,3-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 143208299
4-[(5E,8Z)-10-fluoro-6-methyldeca-5,8-dienyl]-1,3-dihydroimidazole-2-thione
CID 142833272
4-[[2-[(2E,4Z)-6-fluorohexa-2,4-dien-3-yl]-3-propan-2-ylcyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 142833275
4-[(3-Methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11506623
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
2H-Imidazole-2-thione, 4-[(3-ethyl-2-cyclopenten-1-YL)methyl]-1,3-dihydro-
CID 11637074
4-(Cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11644077
4-(2,3,4,5,6,7-hexahydro-1H-inden-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11687300

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione (CID 143208303) is 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione is FC1C=C(C2=CCCC2Cc2c[nH]c(=S)[nH]2)C=CC1.
What is the InChIKey of 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is YDRNFTWLLADVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-12-5-1-3-10(7-12)14-6-2-4-11(14)8-13-9-17-15(19)18-13/h1,3,6-7,9,11-12H,2,4-5,8H2,(H2,17,18,19).
What are the key properties of 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 276.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 143208303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).