5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one

C19H17BrCl2N2O2S — CID 11167698

IUPAC5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one
SMILESCCS(=O)C1=NC(C)(Cc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H17BrCl2N2O2S/c1-3-27(26)18-23-19(2,11-12-4-6-13(20)7-5-12)17(25)24(18)16-9-14(21)8-15(22)10-16/h4-10H,3,11H2,1-2H3
InChIKeyGBQURNAHXRZARR-UHFFFAOYSA-N
MW488.23 g/mol
LogP5.23
Rot. Bonds4

About 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one

5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one (PubChem CID 11167698) has the molecular formula C19H17BrCl2N2O2S and a molecular weight of 488.23 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one
PubChem CID11167698
Molecular FormulaC19H17BrCl2N2O2S
Molecular Weight488.23 g/mol
Exact Mass485.96
IUPAC Name5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one
SMILESCCS(=O)C1=NC(C)(Cc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H17BrCl2N2O2S/c1-3-27(26)18-23-19(2,11-12-4-6-13(20)7-5-12)17(25)24(18)16-9-14(21)8-15(22)10-16/h4-10H,3,11H2,1-2H3
InChIKeyGBQURNAHXRZARR-UHFFFAOYSA-N
XLogP5.23
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.23
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one 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-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one (CID 11167698) is 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one is CCS(=O)C1=NC(C)(Cc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one?
The InChIKey is GBQURNAHXRZARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N2O2S/c1-3-27(26)18-23-19(2,11-12-4-6-13(20)7-5-12)17(25)24(18)16-9-14(21)8-15(22)10-16/h4-10H,3,11H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one?
5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one has a molecular weight of 488.23 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-2-ethylsulfinyl-5-methylimidazol-4-one is sourced from PubChem (CID 11167698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).