4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione

C10H9FN2S — CID 11513987

IUPAC4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESFc1ccc(Cc2c[nH]c(=S)[nH]2)cc1
InChIInChI=1S/C10H9FN2S/c11-8-3-1-7(2-4-8)5-9-6-12-10(14)13-9/h1-4,6H,5H2,(H2,12,13,14)
InChIKeyGWLZMGMUHBXVIM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.80
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 11513987) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID11513987
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESFc1ccc(Cc2c[nH]c(=S)[nH]2)cc1
InChIInChI=1S/C10H9FN2S/c11-8-3-1-7(2-4-8)5-9-6-12-10(14)13-9/h1-4,6H,5H2,(H2,12,13,14)
InChIKeyGWLZMGMUHBXVIM-UHFFFAOYSA-N
XLogP2.80
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.80
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-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione (CID 11513987) is 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione is Fc1ccc(Cc2c[nH]c(=S)[nH]2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is GWLZMGMUHBXVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-8-3-1-7(2-4-8)5-9-6-12-10(14)13-9/h1-4,6H,5H2,(H2,12,13,14).
What are the key properties of 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 208.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 11513987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).