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

C21H19BrN4O3 — CID 2998151

IUPAC3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O
InChIInChI=1S/C21H19BrN4O3/c1-21(12-11-14-7-3-2-4-8-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,23,28)
InChIKeyGGVWRPCIKKOFML-UHFFFAOYSA-N
MW455.31 g/mol
LogP3.94
Rot. Bonds6

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

3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 2998151) has the molecular formula C21H19BrN4O3 and a molecular weight of 455.31 g/mol. Its IUPAC name is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID2998151
Molecular FormulaC21H19BrN4O3
Molecular Weight455.31 g/mol
Exact Mass454.06
IUPAC Name3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O
InChIInChI=1S/C21H19BrN4O3/c1-21(12-11-14-7-3-2-4-8-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,23,28)
InChIKeyGGVWRPCIKKOFML-UHFFFAOYSA-N
XLogP3.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 53.94
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-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-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 2998151) is 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-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-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O.
What is the InChIKey of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is GGVWRPCIKKOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O3/c1-21(12-11-14-7-3-2-4-8-14)19(27)26(20(28)23-21)13-17-24-25-18(29-17)15-9-5-6-10-16(15)22/h2-10H,11-13H2,1H3,(H,23,28).
What are the key properties of 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 455.31 g/mol, XLogP of 3.94, 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-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2998151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).