5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C17H12BrF2N3O3 — CID 155535143

IUPAC5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Br)cn2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C17H12BrF2N3O3/c1-17(14-5-2-9(18)7-21-14)15(25)23(16(26)22-17)8-13(24)11-4-3-10(19)6-12(11)20/h2-7H,8H2,1H3,(H,22,26)
InChIKeyOGNSVSGDVNXFNR-UHFFFAOYSA-N
MW424.20 g/mol
LogP2.77
Rot. Bonds4

About 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 155535143) has the molecular formula C17H12BrF2N3O3 and a molecular weight of 424.20 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID155535143
Molecular FormulaC17H12BrF2N3O3
Molecular Weight424.20 g/mol
Exact Mass423.00
IUPAC Name5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Br)cn2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C17H12BrF2N3O3/c1-17(14-5-2-9(18)7-21-14)15(25)23(16(26)22-17)8-13(24)11-4-3-10(19)6-12(11)20/h2-7H,8H2,1H3,(H,22,26)
InChIKeyOGNSVSGDVNXFNR-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.20
LogP ≤ 52.77
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-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 155535143) is 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(Br)cn2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is OGNSVSGDVNXFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2N3O3/c1-17(14-5-2-9(18)7-21-14)15(25)23(16(26)22-17)8-13(24)11-4-3-10(19)6-12(11)20/h2-7H,8H2,1H3,(H,22,26).
What are the key properties of 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 424.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155535143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).