1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane

C25H35BrClN3O3 — CID 142829060

IUPAC1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane
SMILESCCC.CCNC(C)=O.Cc1cc(Cl)cc(N2C(=O)N[C@@H](C)C2=O)c1.Cc1ccc(Br)cc1
InChIInChI=1S/C11H11ClN2O2.C7H7Br.C4H9NO.C3H8/c1-6-3-8(12)5-9(4-6)14-10(15)7(2)13-11(14)16;1-6-2-4-7(8)5-3-6;1-3-5-4(2)6;1-3-2/h3-5,7H,1-2H3,(H,13,16);2-5H,1H3;3H2,1-2H3,(H,5,6);3H2,1-2H3/t7-;;;/m0.../s1
InChIKeyLXURTBXOCSANQT-QTPLPEIMSA-N
MW540.93 g/mol
LogP6.41
Rot. Bonds2

About 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane

1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane (PubChem CID 142829060) has the molecular formula C25H35BrClN3O3 and a molecular weight of 540.93 g/mol. Its IUPAC name is 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane.

Molecular Properties

Compound Name1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane
PubChem CID142829060
Molecular FormulaC25H35BrClN3O3
Molecular Weight540.93 g/mol
Exact Mass539.16
IUPAC Name1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane
SMILESCCC.CCNC(C)=O.Cc1cc(Cl)cc(N2C(=O)N[C@@H](C)C2=O)c1.Cc1ccc(Br)cc1
InChIInChI=1S/C11H11ClN2O2.C7H7Br.C4H9NO.C3H8/c1-6-3-8(12)5-9(4-6)14-10(15)7(2)13-11(14)16;1-6-2-4-7(8)5-3-6;1-3-5-4(2)6;1-3-2/h3-5,7H,1-2H3,(H,13,16);2-5H,1H3;3H2,1-2H3,(H,5,6);3H2,1-2H3/t7-;;;/m0.../s1
InChIKeyLXURTBXOCSANQT-QTPLPEIMSA-N
XLogP6.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.93
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane 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-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane?
The IUPAC name of 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane (CID 142829060) is 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane.
What is the SMILES notation for 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane?
The canonical SMILES for 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane is CCC.CCNC(C)=O.Cc1cc(Cl)cc(N2C(=O)N[C@@H](C)C2=O)c1.Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane?
The InChIKey is LXURTBXOCSANQT-QTPLPEIMSA-N. The full InChI is InChI=1S/C11H11ClN2O2.C7H7Br.C4H9NO.C3H8/c1-6-3-8(12)5-9(4-6)14-10(15)7(2)13-11(14)16;1-6-2-4-7(8)5-3-6;1-3-5-4(2)6;1-3-2/h3-5,7H,1-2H3,(H,13,16);2-5H,1H3;3H2,1-2H3,(H,5,6);3H2,1-2H3/t7-;;;/m0.../s1.
What are the key properties of 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane?
1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane has a molecular weight of 540.93 g/mol, XLogP of 6.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylbenzene;(5S)-3-(3-chloro-5-methylphenyl)-5-methylimidazolidine-2,4-dione;N-ethylacetamide;propane is sourced from PubChem (CID 142829060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).