4-imidazol-1-ylbenzimidazole-2-thione

C10H6N4S — CID 54374494

IUPAC4-imidazol-1-ylbenzimidazole-2-thione
SMILESS=C1N=c2cccc(-n3ccnc3)c2=N1
InChIInChI=1S/C10H6N4S/c15-10-12-7-2-1-3-8(9(7)13-10)14-5-4-11-6-14/h1-6H
InChIKeyUVNLGUXIHIOSHF-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.41
Rot. Bonds1

About 4-imidazol-1-ylbenzimidazole-2-thione

4-imidazol-1-ylbenzimidazole-2-thione (PubChem CID 54374494) has the molecular formula C10H6N4S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-imidazol-1-ylbenzimidazole-2-thione.

Molecular Properties

Compound Name4-imidazol-1-ylbenzimidazole-2-thione
PubChem CID54374494
Molecular FormulaC10H6N4S
Molecular Weight214.25 g/mol
Exact Mass214.03
IUPAC Name4-imidazol-1-ylbenzimidazole-2-thione
SMILESS=C1N=c2cccc(-n3ccnc3)c2=N1
InChIInChI=1S/C10H6N4S/c15-10-12-7-2-1-3-8(9(7)13-10)14-5-4-11-6-14/h1-6H
InChIKeyUVNLGUXIHIOSHF-UHFFFAOYSA-N
XLogP0.41
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-imidazol-1-ylbenzimidazole-2-thione?
The IUPAC name of 4-imidazol-1-ylbenzimidazole-2-thione (CID 54374494) is 4-imidazol-1-ylbenzimidazole-2-thione.
What is the SMILES notation for 4-imidazol-1-ylbenzimidazole-2-thione?
The canonical SMILES for 4-imidazol-1-ylbenzimidazole-2-thione is S=C1N=c2cccc(-n3ccnc3)c2=N1.
What is the InChIKey of 4-imidazol-1-ylbenzimidazole-2-thione?
The InChIKey is UVNLGUXIHIOSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4S/c15-10-12-7-2-1-3-8(9(7)13-10)14-5-4-11-6-14/h1-6H.
What are the key properties of 4-imidazol-1-ylbenzimidazole-2-thione?
4-imidazol-1-ylbenzimidazole-2-thione has a molecular weight of 214.25 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylbenzimidazole-2-thione is sourced from PubChem (CID 54374494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).