5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione

C7H4ClFN2S — CID 1268248

IUPAC5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione
SMILESFc1cc2[nH]c(=S)[nH]c2cc1Cl
InChIInChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKeyDQXCFZSRGLNXKW-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.02
Rot. Bonds

About 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione

5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione (PubChem CID 1268248) has the molecular formula C7H4ClFN2S and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione
PubChem CID1268248
Molecular FormulaC7H4ClFN2S
Molecular Weight202.64 g/mol
Exact Mass201.98
IUPAC Name5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione
SMILESFc1cc2[nH]c(=S)[nH]c2cc1Cl
InChIInChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKeyDQXCFZSRGLNXKW-UHFFFAOYSA-N
XLogP3.02
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.02
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 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione (CID 1268248) is 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione is Fc1cc2[nH]c(=S)[nH]c2cc1Cl.
What is the InChIKey of 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is DQXCFZSRGLNXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12).
What are the key properties of 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione?
5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 202.64 g/mol, XLogP of 3.02, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 1268248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).