4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione

C12H10N2O2S — CID 21496191

IUPAC4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione
SMILESCn1c(-c2ccco2)c(-c2ccco2)[nH]c1=S
InChIInChI=1S/C12H10N2O2S/c1-14-11(9-5-3-7-16-9)10(13-12(14)17)8-4-2-6-15-8/h2-7H,1H3,(H,13,17)
InChIKeyOPOBXECHNHCYIZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.60
Rot. Bonds2

About 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione

4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione (PubChem CID 21496191) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione
PubChem CID21496191
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione
SMILESCn1c(-c2ccco2)c(-c2ccco2)[nH]c1=S
InChIInChI=1S/C12H10N2O2S/c1-14-11(9-5-3-7-16-9)10(13-12(14)17)8-4-2-6-15-8/h2-7H,1H3,(H,13,17)
InChIKeyOPOBXECHNHCYIZ-UHFFFAOYSA-N
XLogP3.60
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione?
The IUPAC name of 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione (CID 21496191) is 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione?
The canonical SMILES for 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione is Cn1c(-c2ccco2)c(-c2ccco2)[nH]c1=S.
What is the InChIKey of 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione?
The InChIKey is OPOBXECHNHCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-14-11(9-5-3-7-16-9)10(13-12(14)17)8-4-2-6-15-8/h2-7H,1H3,(H,13,17).
What are the key properties of 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione?
4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione has a molecular weight of 246.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-3-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 21496191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).