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

C15H14F2N2S — CID 23549523

IUPAC4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
SMILESFc1ccc(F)c(C2=CCCC2Cc2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C15H14F2N2S/c16-10-4-5-14(17)13(7-10)12-3-1-2-9(12)6-11-8-18-15(20)19-11/h3-5,7-9H,1-2,6H2,(H2,18,19,20)
InChIKeyGZFWSRYGYHVRQF-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.39
Rot. Bonds3

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

4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 23549523) has the molecular formula C15H14F2N2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
PubChem CID23549523
Molecular FormulaC15H14F2N2S
Molecular Weight292.35 g/mol
Exact Mass292.08
IUPAC Name4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
SMILESFc1ccc(F)c(C2=CCCC2Cc2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C15H14F2N2S/c16-10-4-5-14(17)13(7-10)12-3-1-2-9(12)6-11-8-18-15(20)19-11/h3-5,7-9H,1-2,6H2,(H2,18,19,20)
InChIKeyGZFWSRYGYHVRQF-UHFFFAOYSA-N
XLogP4.39
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione (CID 23549523) is 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione is Fc1ccc(F)c(C2=CCCC2Cc2c[nH]c(=S)[nH]2)c1.
What is the InChIKey of 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is GZFWSRYGYHVRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2S/c16-10-4-5-14(17)13(7-10)12-3-1-2-9(12)6-11-8-18-15(20)19-11/h3-5,7-9H,1-2,6H2,(H2,18,19,20).
What are the key properties of 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione?
4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 292.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-difluorophenyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 23549523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).