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

C10H8ClFN2S — CID 11637318

IUPAC4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESFc1c(Cl)cccc1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C10H8ClFN2S/c11-8-3-1-2-6(9(8)12)4-7-5-13-10(15)14-7/h1-3,5H,4H2,(H2,13,14,15)
InChIKeyJLIZTUILJFWJAT-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.46
Rot. Bonds2

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

4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 11637318) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID11637318
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione
SMILESFc1c(Cl)cccc1Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C10H8ClFN2S/c11-8-3-1-2-6(9(8)12)4-7-5-13-10(15)14-7/h1-3,5H,4H2,(H2,13,14,15)
InChIKeyJLIZTUILJFWJAT-UHFFFAOYSA-N
XLogP3.46
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.46
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-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione (CID 11637318) is 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione is Fc1c(Cl)cccc1Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is JLIZTUILJFWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-8-3-1-2-6(9(8)12)4-7-5-13-10(15)14-7/h1-3,5H,4H2,(H2,13,14,15).
What are the key properties of 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione?
4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 242.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 11637318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).