5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one

C18H16N2O2S — CID 16750472

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc3c(c2)CCO3)NC1=S
InChIInChI=1S/C18H16N2O2S/c1-20-16(21)18(19-17(20)23,13-5-3-2-4-6-13)14-7-8-15-12(11-14)9-10-22-15/h2-8,11H,9-10H2,1H3,(H,19,23)
InChIKeyBYHJSVUOWYNUSW-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.21
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one

5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 16750472) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID16750472
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc3c(c2)CCO3)NC1=S
InChIInChI=1S/C18H16N2O2S/c1-20-16(21)18(19-17(20)23,13-5-3-2-4-6-13)14-7-8-15-12(11-14)9-10-22-15/h2-8,11H,9-10H2,1H3,(H,19,23)
InChIKeyBYHJSVUOWYNUSW-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one (CID 16750472) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)C(c2ccccc2)(c2ccc3c(c2)CCO3)NC1=S.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is BYHJSVUOWYNUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-20-16(21)18(19-17(20)23,13-5-3-2-4-6-13)14-7-8-15-12(11-14)9-10-22-15/h2-8,11H,9-10H2,1H3,(H,19,23).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one?
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 16750472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).