(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione

C14H16BrClN2O2 — CID 100761174

IUPAC(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
SMILESCC(C)(C)[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C14H16BrClN2O2/c1-14(2,3)11-12(19)18(13(20)17-11)7-8-4-5-9(16)6-10(8)15/h4-6,11H,7H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyDCHUJNSXZUVUAP-LLVKDONJSA-N
MW359.65 g/mol
LogP3.57
Rot. Bonds2

About (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione

(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione (PubChem CID 100761174) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
PubChem CID100761174
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione
SMILESCC(C)(C)[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2Br)C1=O
InChIInChI=1S/C14H16BrClN2O2/c1-14(2,3)11-12(19)18(13(20)17-11)7-8-4-5-9(16)6-10(8)15/h4-6,11H,7H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyDCHUJNSXZUVUAP-LLVKDONJSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-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 (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione (CID 100761174) is (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione is CC(C)(C)[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2Br)C1=O.
What is the InChIKey of (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
The InChIKey is DCHUJNSXZUVUAP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-14(2,3)11-12(19)18(13(20)17-11)7-8-4-5-9(16)6-10(8)15/h4-6,11H,7H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione?
(5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione has a molecular weight of 359.65 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2-bromo-4-chlorophenyl)methyl]-5-tert-butylimidazolidine-2,4-dione is sourced from PubChem (CID 100761174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).