3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one

C15H13N3OS — CID 43995713

IUPAC3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H13N3OS/c19-14-10-16-15(20)18(14)13-8-6-12(7-9-13)17-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,16,20)
InChIKeyWMCNQABEXPXRLY-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.65
Rot. Bonds3

About 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one

3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 43995713) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID43995713
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H13N3OS/c19-14-10-16-15(20)18(14)13-8-6-12(7-9-13)17-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,16,20)
InChIKeyWMCNQABEXPXRLY-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
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 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one (CID 43995713) is 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is WMCNQABEXPXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-14-10-16-15(20)18(14)13-8-6-12(7-9-13)17-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,16,20).
What are the key properties of 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one?
3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 283.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinophenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 43995713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).