1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one

C23H20N2OS — CID 87951558

IUPAC1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccc(Cc3ccccc3)c(Cc3ccccc3)c2)C(=S)N1
InChIInChI=1S/C23H20N2OS/c26-22-16-25(23(27)24-22)21-12-11-19(13-17-7-3-1-4-8-17)20(15-21)14-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,24,26,27)
InChIKeyZADHQKYLIPZSKY-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.09
Rot. Bonds5

About 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one

1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 87951558) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID87951558
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccc(Cc3ccccc3)c(Cc3ccccc3)c2)C(=S)N1
InChIInChI=1S/C23H20N2OS/c26-22-16-25(23(27)24-22)21-12-11-19(13-17-7-3-1-4-8-17)20(15-21)14-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,24,26,27)
InChIKeyZADHQKYLIPZSKY-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one (CID 87951558) is 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one is O=C1CN(c2ccc(Cc3ccccc3)c(Cc3ccccc3)c2)C(=S)N1.
What is the InChIKey of 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZADHQKYLIPZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c26-22-16-25(23(27)24-22)21-12-11-19(13-17-7-3-1-4-8-17)20(15-21)14-18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,24,26,27).
What are the key properties of 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one?
1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 372.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dibenzylphenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 87951558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).