5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione

C22H24Br2N2O2 — CID 10346150

IUPAC5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione
SMILESCCCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C22H24Br2N2O2/c1-2-3-4-5-6-15-26-20(27)22(25-21(26)28,16-7-11-18(23)12-8-16)17-9-13-19(24)14-10-17/h7-14H,2-6,15H2,1H3,(H,25,28)
InChIKeyDARDHNGWORIPGS-UHFFFAOYSA-N
MW508.25 g/mol
LogP5.98
Rot. Bonds8

About 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione

5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione (PubChem CID 10346150) has the molecular formula C22H24Br2N2O2 and a molecular weight of 508.25 g/mol. Its IUPAC name is 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione
PubChem CID10346150
Molecular FormulaC22H24Br2N2O2
Molecular Weight508.25 g/mol
Exact Mass506.02
IUPAC Name5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione
SMILESCCCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C22H24Br2N2O2/c1-2-3-4-5-6-15-26-20(27)22(25-21(26)28,16-7-11-18(23)12-8-16)17-9-13-19(24)14-10-17/h7-14H,2-6,15H2,1H3,(H,25,28)
InChIKeyDARDHNGWORIPGS-UHFFFAOYSA-N
XLogP5.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.25
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione?
The IUPAC name of 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione (CID 10346150) is 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione.
What is the SMILES notation for 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione?
The canonical SMILES for 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione is CCCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione?
The InChIKey is DARDHNGWORIPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Br2N2O2/c1-2-3-4-5-6-15-26-20(27)22(25-21(26)28,16-7-11-18(23)12-8-16)17-9-13-19(24)14-10-17/h7-14H,2-6,15H2,1H3,(H,25,28).
What are the key properties of 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione?
5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione has a molecular weight of 508.25 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-bromophenyl)-3-heptylimidazolidine-2,4-dione is sourced from PubChem (CID 10346150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).