4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione

C13H18N2S — CID 143208260

IUPAC4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
SMILESC/C=C\CC1=CCCC1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C13H18N2S/c1-2-3-5-10-6-4-7-11(10)8-12-9-14-13(16)15-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H2,14,15,16)/b3-2-
InChIKeyFEWABHJVXYNIQH-IHWYPQMZSA-N
MW234.37 g/mol
LogP3.92
Rot. Bonds4

About 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione

4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 143208260) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
PubChem CID143208260
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
SMILESC/C=C\CC1=CCCC1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C13H18N2S/c1-2-3-5-10-6-4-7-11(10)8-12-9-14-13(16)15-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H2,14,15,16)/b3-2-
InChIKeyFEWABHJVXYNIQH-IHWYPQMZSA-N
XLogP3.92
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(1,2,3,4,5,6-Hexahydropentalen-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11543100
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-[[2-(3-Fluorocyclohexa-1,5-dien-1-yl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 143208303
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
4-(1,2,3,4,5,6,7,8-Octahydronaphthalen-2-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11608487

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione (CID 143208260) is 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione is C/C=C\CC1=CCCC1Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is FEWABHJVXYNIQH-IHWYPQMZSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-3-5-10-6-4-7-11(10)8-12-9-14-13(16)15-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H2,14,15,16)/b3-2-.
What are the key properties of 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 234.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(Z)-but-2-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 143208260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).