5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione

C20H17BrF2N2O3 — CID 155534854

IUPAC5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C20H17BrF2N2O3/c1-11(2)20(12-3-5-13(21)6-4-12)18(27)25(19(28)24-20)10-17(26)15-8-7-14(22)9-16(15)23/h3-9,11H,10H2,1-2H3,(H,24,28)
InChIKeyORZZRQZMVFIOGF-UHFFFAOYSA-N
MW451.27 g/mol
LogP4.01
Rot. Bonds5

About 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione

5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 155534854) has the molecular formula C20H17BrF2N2O3 and a molecular weight of 451.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID155534854
Molecular FormulaC20H17BrF2N2O3
Molecular Weight451.27 g/mol
Exact Mass450.04
IUPAC Name5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C20H17BrF2N2O3/c1-11(2)20(12-3-5-13(21)6-4-12)18(27)25(19(28)24-20)10-17(26)15-8-7-14(22)9-16(15)23/h3-9,11H,10H2,1-2H3,(H,24,28)
InChIKeyORZZRQZMVFIOGF-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
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-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 155534854) is 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1(c2ccc(Br)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is ORZZRQZMVFIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF2N2O3/c1-11(2)20(12-3-5-13(21)6-4-12)18(27)25(19(28)24-20)10-17(26)15-8-7-14(22)9-16(15)23/h3-9,11H,10H2,1-2H3,(H,24,28).
What are the key properties of 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 451.27 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 155534854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).