5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione

C18H16Br2N2O3 — CID 10479729

IUPAC5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCCO
InChIInChI=1S/C18H16Br2N2O3/c19-14-6-2-12(3-7-14)18(13-4-8-15(20)9-5-13)16(24)22(10-1-11-23)17(25)21-18/h2-9,23H,1,10-11H2,(H,21,25)
InChIKeyRCWSXVLXYQOHTN-UHFFFAOYSA-N
MW468.15 g/mol
LogP3.39
Rot. Bonds5

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

5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione (PubChem CID 10479729) has the molecular formula C18H16Br2N2O3 and a molecular weight of 468.15 g/mol. Its IUPAC name is 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione
PubChem CID10479729
Molecular FormulaC18H16Br2N2O3
Molecular Weight468.15 g/mol
Exact Mass465.95
IUPAC Name5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCCO
InChIInChI=1S/C18H16Br2N2O3/c19-14-6-2-12(3-7-14)18(13-4-8-15(20)9-5-13)16(24)22(10-1-11-23)17(25)21-18/h2-9,23H,1,10-11H2,(H,21,25)
InChIKeyRCWSXVLXYQOHTN-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.15
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(3-hydroxypropyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione (CID 10479729) is 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione is O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCCO.
What is the InChIKey of 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione?
The InChIKey is RCWSXVLXYQOHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O3/c19-14-6-2-12(3-7-14)18(13-4-8-15(20)9-5-13)16(24)22(10-1-11-23)17(25)21-18/h2-9,23H,1,10-11H2,(H,21,25).
What are the key properties of 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione?
5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione has a molecular weight of 468.15 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-bromophenyl)-3-(3-hydroxypropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 10479729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).