1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C16H14N2OS — CID 892975

IUPAC1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2CC(=O)N(c3ccccc3)C2=S)cc1
InChIInChI=1S/C16H14N2OS/c1-12-7-9-13(10-8-12)17-11-15(19)18(16(17)20)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyHVNKADNORRDZBC-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 892975) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID892975
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCc1ccc(N2CC(=O)N(c3ccccc3)C2=S)cc1
InChIInChI=1S/C16H14N2OS/c1-12-7-9-13(10-8-12)17-11-15(19)18(16(17)20)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyHVNKADNORRDZBC-UHFFFAOYSA-N
XLogP3.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
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-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 892975) is 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is Cc1ccc(N2CC(=O)N(c3ccccc3)C2=S)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HVNKADNORRDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-12-7-9-13(10-8-12)17-11-15(19)18(16(17)20)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 892975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).