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

C7H6N2OS — CID 14622487

IUPAC5-hydroxy-1,3-dihydrobenzimidazole-2-thione
SMILESOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C7H6N2OS/c10-4-1-2-5-6(3-4)9-7(11)8-5/h1-3,10H,(H2,8,9,11)
InChIKeyDFKVVBOVTVBURY-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.93
Rot. Bonds

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

5-hydroxy-1,3-dihydrobenzimidazole-2-thione (PubChem CID 14622487) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 5-hydroxy-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-hydroxy-1,3-dihydrobenzimidazole-2-thione
PubChem CID14622487
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name5-hydroxy-1,3-dihydrobenzimidazole-2-thione
SMILESOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C7H6N2OS/c10-4-1-2-5-6(3-4)9-7(11)8-5/h1-3,10H,(H2,8,9,11)
InChIKeyDFKVVBOVTVBURY-UHFFFAOYSA-N
XLogP1.93
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 3056308
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CID 13616640
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CID 21819294
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CID 3000727
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CID 12926629
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CID 3556188
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CID 82229746
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-hydroxy-1,3-dihydrobenzimidazole-2-thione (CID 14622487) is 5-hydroxy-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-hydroxy-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-hydroxy-1,3-dihydrobenzimidazole-2-thione is Oc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-hydroxy-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is DFKVVBOVTVBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-4-1-2-5-6(3-4)9-7(11)8-5/h1-3,10H,(H2,8,9,11).
What are the key properties of 5-hydroxy-1,3-dihydrobenzimidazole-2-thione?
5-hydroxy-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 166.20 g/mol, XLogP of 1.93, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 14622487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).