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

C16H15FN2O3 — CID 52844271

IUPAC(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)o1
InChIInChI=1S/C16H15FN2O3/c1-10-6-7-13(22-10)16(2)14(20)19(15(21)18-16)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyVSJDFQZVRGZSKZ-INIZCTEOSA-N
MW302.31 g/mol
LogP2.69
Rot. Bonds3

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

(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (PubChem CID 52844271) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
PubChem CID52844271
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)o1
InChIInChI=1S/C16H15FN2O3/c1-10-6-7-13(22-10)16(2)14(20)19(15(21)18-16)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyVSJDFQZVRGZSKZ-INIZCTEOSA-N
XLogP2.69
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.69
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-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (CID 52844271) is (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)o1.
What is the InChIKey of (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The InChIKey is VSJDFQZVRGZSKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-10-6-7-13(22-10)16(2)14(20)19(15(21)18-16)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione has a molecular weight of 302.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 52844271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).