4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione

C9H7FN2S — CID 3022077

IUPAC4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione
SMILESFc1ccccc1-c1c[nH]c(=S)[nH]1
InChIInChI=1S/C9H7FN2S/c10-7-4-2-1-3-6(7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKeyCOMZTUHLRQVPAK-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.88
Rot. Bonds1

About 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione

4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione (PubChem CID 3022077) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione
PubChem CID3022077
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione
SMILESFc1ccccc1-c1c[nH]c(=S)[nH]1
InChIInChI=1S/C9H7FN2S/c10-7-4-2-1-3-6(7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKeyCOMZTUHLRQVPAK-UHFFFAOYSA-N
XLogP2.88
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.88
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-fluorophenyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione (CID 3022077) is 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione is Fc1ccccc1-c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is COMZTUHLRQVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c10-7-4-2-1-3-6(7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13).
What are the key properties of 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione?
4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 194.23 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 3022077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).