1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one

C23H20N2O2S — CID 87951658

IUPAC1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(-c2cc(N3CC(=O)NC3=S)ccc2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-20-11-8-17(9-12-20)21-14-19(25-15-22(26)24-23(25)28)10-7-18(21)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,24,26,28)
InChIKeySSYRCYMMCKDTFP-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.17
Rot. Bonds5

About 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one

1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 87951658) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID87951658
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(-c2cc(N3CC(=O)NC3=S)ccc2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-27-20-11-8-17(9-12-20)21-14-19(25-15-22(26)24-23(25)28)10-7-18(21)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,24,26,28)
InChIKeySSYRCYMMCKDTFP-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.17
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 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one (CID 87951658) is 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one is COc1ccc(-c2cc(N3CC(=O)NC3=S)ccc2Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SSYRCYMMCKDTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-27-20-11-8-17(9-12-20)21-14-19(25-15-22(26)24-23(25)28)10-7-18(21)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,24,26,28).
What are the key properties of 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one?
1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 388.49 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzyl-3-(4-methoxyphenyl)phenyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 87951658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).