(5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione

C16H14N2O3 — CID 846545

IUPAC(5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1
InChIInChI=1S/C16H14N2O3/c1-11-7-8-13(21-11)9-14-15(19)18(16(20)17-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)/b14-9+
InChIKeyRMADRUATHQHFPU-NTEUORMPSA-N
MW282.30 g/mol
LogP2.68
Rot. Bonds3

About (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 846545) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID846545
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1
InChIInChI=1S/C16H14N2O3/c1-11-7-8-13(21-11)9-14-15(19)18(16(20)17-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)/b14-9+
InChIKeyRMADRUATHQHFPU-NTEUORMPSA-N
XLogP2.68
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione (CID 846545) is (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione is Cc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1.
What is the InChIKey of (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is RMADRUATHQHFPU-NTEUORMPSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-7-8-13(21-11)9-14-15(19)18(16(20)17-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)/b14-9+.
What are the key properties of (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 846545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).