1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione

C22H13BrN2O2S — CID 44516360

IUPAC1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione
SMILESO=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H13BrN2O2S/c23-15-5-7-16(8-6-15)25-21(28)20(26)24(22(25)27)17-9-10-19-14(12-17)11-13-3-1-2-4-18(13)19/h1-10,12H,11H2
InChIKeyQGGCVAPFSNNIFC-UHFFFAOYSA-N
MW449.33 g/mol
LogP5.32
Rot. Bonds2

About 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione

1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione (PubChem CID 44516360) has the molecular formula C22H13BrN2O2S and a molecular weight of 449.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione
PubChem CID44516360
Molecular FormulaC22H13BrN2O2S
Molecular Weight449.33 g/mol
Exact Mass447.99
IUPAC Name1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione
SMILESO=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C22H13BrN2O2S/c23-15-5-7-16(8-6-15)25-21(28)20(26)24(22(25)27)17-9-10-19-14(12-17)11-13-3-1-2-4-18(13)19/h1-10,12H,11H2
InChIKeyQGGCVAPFSNNIFC-UHFFFAOYSA-N
XLogP5.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.33
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione (CID 44516360) is 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione is O=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione?
The InChIKey is QGGCVAPFSNNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2O2S/c23-15-5-7-16(8-6-15)25-21(28)20(26)24(22(25)27)17-9-10-19-14(12-17)11-13-3-1-2-4-18(13)19/h1-10,12H,11H2.
What are the key properties of 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione?
1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione has a molecular weight of 449.33 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(9H-fluoren-2-yl)-5-sulfanylideneimidazolidine-2,4-dione is sourced from PubChem (CID 44516360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).