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

C21H21Br2N3O3 — CID 11756523

IUPAC5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C21H21Br2N3O3/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)19(27)26(20(28)24-21)10-9-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,24,28)
InChIKeyPMUNRSMHXHUYQP-UHFFFAOYSA-N
MW523.23 g/mol
LogP3.34
Rot. Bonds5

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

5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 11756523) has the molecular formula C21H21Br2N3O3 and a molecular weight of 523.23 g/mol. Its IUPAC name is 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
PubChem CID11756523
Molecular FormulaC21H21Br2N3O3
Molecular Weight523.23 g/mol
Exact Mass520.99
IUPAC Name5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C21H21Br2N3O3/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)19(27)26(20(28)24-21)10-9-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,24,28)
InChIKeyPMUNRSMHXHUYQP-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (CID 11756523) is 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The InChIKey is PMUNRSMHXHUYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Br2N3O3/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)19(27)26(20(28)24-21)10-9-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,24,28).
What are the key properties of 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 523.23 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-bromophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11756523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).