4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione

C19H16N2O2S — CID 139775443

IUPAC4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccc3c(c2)CCO3)c(-c2ccc3c(c2)CCO3)[nH]1
InChIInChI=1S/C19H16N2O2S/c24-19-20-17(13-1-3-15-11(9-13)5-7-22-15)18(21-19)14-2-4-16-12(10-14)6-8-23-16/h1-4,9-10H,5-8H2,(H2,20,21,24)
InChIKeyQCWCNEXFLUFCAU-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.28
Rot. Bonds2

About 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione

4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 139775443) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
PubChem CID139775443
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(-c2ccc3c(c2)CCO3)c(-c2ccc3c(c2)CCO3)[nH]1
InChIInChI=1S/C19H16N2O2S/c24-19-20-17(13-1-3-15-11(9-13)5-7-22-15)18(21-19)14-2-4-16-12(10-14)6-8-23-16/h1-4,9-10H,5-8H2,(H2,20,21,24)
InChIKeyQCWCNEXFLUFCAU-UHFFFAOYSA-N
XLogP4.28
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
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2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
CID 62198669
5-(3-chlorocyclohexen-1-yl)-2,3-dihydro-1-benzofuran
CID 104544423
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
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5-isocyano-2,3-dihydro-1-benzofuran
CID 83479252
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
CID 107383052

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione (CID 139775443) is 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione is S=c1[nH]c(-c2ccc3c(c2)CCO3)c(-c2ccc3c(c2)CCO3)[nH]1.
What is the InChIKey of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is QCWCNEXFLUFCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c24-19-20-17(13-1-3-15-11(9-13)5-7-22-15)18(21-19)14-2-4-16-12(10-14)6-8-23-16/h1-4,9-10H,5-8H2,(H2,20,21,24).
What are the key properties of 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione?
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 336.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 139775443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).