1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

C14H17BrN2O2 — CID 59362311

IUPAC1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-10(2)7-17-13(18)9-16(14(17)19)8-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyJXKWIHKRMVVTAA-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.87
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 59362311) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID59362311
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-10(2)7-17-13(18)9-16(14(17)19)8-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3
InChIKeyJXKWIHKRMVVTAA-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)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 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (CID 59362311) is 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1C(=O)CN(Cc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is JXKWIHKRMVVTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10(2)7-17-13(18)9-16(14(17)19)8-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 325.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59362311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).