3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C20H17BrN4O3 — CID 2999998

IUPAC3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C20H17BrN4O3/c21-15-9-5-4-8-14(15)18-24-23-17(28-18)12-25-19(26)16(22-20(25)27)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,22,27)
InChIKeyAUXRHNBPHRWEMR-UHFFFAOYSA-N
MW441.29 g/mol
LogP3.55
Rot. Bonds6

About 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 2999998) has the molecular formula C20H17BrN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID2999998
Molecular FormulaC20H17BrN4O3
Molecular Weight441.29 g/mol
Exact Mass440.05
IUPAC Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C20H17BrN4O3/c21-15-9-5-4-8-14(15)18-24-23-17(28-18)12-25-19(26)16(22-20(25)27)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,22,27)
InChIKeyAUXRHNBPHRWEMR-UHFFFAOYSA-N
XLogP3.55
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 2999998) is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1NC(CCc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is AUXRHNBPHRWEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3/c21-15-9-5-4-8-14(15)18-24-23-17(28-18)12-25-19(26)16(22-20(25)27)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,22,27).
What are the key properties of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 441.29 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2999998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).