5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione

C19H17BrCl2N2O3 — CID 18682570

IUPAC5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cc(Br)ccc1CC1(C)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1C
InChIInChI=1S/C19H17BrCl2N2O3/c1-19(10-11-4-5-12(20)6-16(11)27-3)17(25)24(18(26)23(19)2)15-8-13(21)7-14(22)9-15/h4-9H,10H2,1-3H3
InChIKeyODFDWWVLJPSJQT-UHFFFAOYSA-N
MW472.17 g/mol
LogP5.16
Rot. Bonds4

About 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione

5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 18682570) has the molecular formula C19H17BrCl2N2O3 and a molecular weight of 472.17 g/mol. Its IUPAC name is 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione
PubChem CID18682570
Molecular FormulaC19H17BrCl2N2O3
Molecular Weight472.17 g/mol
Exact Mass469.98
IUPAC Name5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cc(Br)ccc1CC1(C)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1C
InChIInChI=1S/C19H17BrCl2N2O3/c1-19(10-11-4-5-12(20)6-16(11)27-3)17(25)24(18(26)23(19)2)15-8-13(21)7-14(22)9-15/h4-9H,10H2,1-3H3
InChIKeyODFDWWVLJPSJQT-UHFFFAOYSA-N
XLogP5.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.17
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-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 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione (CID 18682570) is 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione is COc1cc(Br)ccc1CC1(C)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1C.
What is the InChIKey of 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ODFDWWVLJPSJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N2O3/c1-19(10-11-4-5-12(20)6-16(11)27-3)17(25)24(18(26)23(19)2)15-8-13(21)7-14(22)9-15/h4-9H,10H2,1-3H3.
What are the key properties of 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione?
5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 472.17 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 18682570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).