4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione

C10H8F2N2OS — CID 25124267

IUPAC4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
SMILESFC(F)Oc1ccc(-c2c[nH]c(=S)[nH]2)cc1
InChIInChI=1S/C10H8F2N2OS/c11-9(12)15-7-3-1-6(2-4-7)8-5-13-10(16)14-8/h1-5,9H,(H2,13,14,16)
InChIKeyRSUPNTVGCZRJCF-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.34
Rot. Bonds3

About 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione

4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione (PubChem CID 25124267) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
PubChem CID25124267
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
SMILESFC(F)Oc1ccc(-c2c[nH]c(=S)[nH]2)cc1
InChIInChI=1S/C10H8F2N2OS/c11-9(12)15-7-3-1-6(2-4-7)8-5-13-10(16)14-8/h1-5,9H,(H2,13,14,16)
InChIKeyRSUPNTVGCZRJCF-UHFFFAOYSA-N
XLogP3.34
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione (CID 25124267) is 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione is FC(F)Oc1ccc(-c2c[nH]c(=S)[nH]2)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is RSUPNTVGCZRJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c11-9(12)15-7-3-1-6(2-4-7)8-5-13-10(16)14-8/h1-5,9H,(H2,13,14,16).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 242.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25124267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).