(5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

C16H14F2N2O3 — CID 52844317

IUPAC(5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3F)C2=O)o1
InChIInChI=1S/C16H14F2N2O3/c1-9-6-7-12(23-9)16(2)14(21)20(15(22)19-16)8-10-4-3-5-11(17)13(10)18/h3-7H,8H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeySZWJIBIIDRNMAW-INIZCTEOSA-N
MW320.30 g/mol
LogP2.83
Rot. Bonds3

About (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

(5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (PubChem CID 52844317) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
PubChem CID52844317
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name(5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3F)C2=O)o1
InChIInChI=1S/C16H14F2N2O3/c1-9-6-7-12(23-9)16(2)14(21)20(15(22)19-16)8-10-4-3-5-11(17)13(10)18/h3-7H,8H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeySZWJIBIIDRNMAW-INIZCTEOSA-N
XLogP2.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.83
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 (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (CID 52844317) is (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3F)C2=O)o1.
What is the InChIKey of (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The InChIKey is SZWJIBIIDRNMAW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-9-6-7-12(23-9)16(2)14(21)20(15(22)19-16)8-10-4-3-5-11(17)13(10)18/h3-7H,8H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
(5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione has a molecular weight of 320.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2,3-difluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 52844317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).