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

C15H11BrN2OS — CID 98000861

IUPAC3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1c1ccccc1Br
InChIInChI=1S/C15H11BrN2OS/c16-12-8-4-5-9-13(12)18-14(19)10-17(15(18)20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyGAAMHSHFKIQMIC-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.59
Rot. Bonds2

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

3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 98000861) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID98000861
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC Name3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(c2ccccc2)C(=S)N1c1ccccc1Br
InChIInChI=1S/C15H11BrN2OS/c16-12-8-4-5-9-13(12)18-14(19)10-17(15(18)20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyGAAMHSHFKIQMIC-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.59
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 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one (CID 98000861) is 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one is O=C1CN(c2ccccc2)C(=S)N1c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is GAAMHSHFKIQMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c16-12-8-4-5-9-13(12)18-14(19)10-17(15(18)20)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one?
3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 347.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 98000861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).