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

C7H5FN2S — CID 3434885

IUPAC5-fluoro-1,3-dihydrobenzimidazole-2-thione
SMILESFc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyXTTJBCKSGKYUMN-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.36
Rot. Bonds

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

5-fluoro-1,3-dihydrobenzimidazole-2-thione (PubChem CID 3434885) has the molecular formula C7H5FN2S and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-fluoro-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-fluoro-1,3-dihydrobenzimidazole-2-thione
PubChem CID3434885
Molecular FormulaC7H5FN2S
Molecular Weight168.20 g/mol
Exact Mass168.02
IUPAC Name5-fluoro-1,3-dihydrobenzimidazole-2-thione
SMILESFc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyXTTJBCKSGKYUMN-UHFFFAOYSA-N
XLogP2.36
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.36
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-fluoro-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-fluoro-1,3-dihydrobenzimidazole-2-thione (CID 3434885) is 5-fluoro-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-fluoro-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-fluoro-1,3-dihydrobenzimidazole-2-thione is Fc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-fluoro-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is XTTJBCKSGKYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11).
What are the key properties of 5-fluoro-1,3-dihydrobenzimidazole-2-thione?
5-fluoro-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 168.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 3434885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).