2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole

C22H15Cl2IN2O2S — CID 59240328

IUPAC2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(I)nc3-c3cccc(Cl)c3Cl)cc2)c1
InChIInChI=1S/C22H15Cl2IN2O2S/c1-30(28,29)17-5-2-4-15(12-17)14-8-10-16(11-9-14)27-13-20(25)26-22(27)18-6-3-7-19(23)21(18)24/h2-13H,1H3
InChIKeyVLFHLOVCXVBWLW-UHFFFAOYSA-N
MW569.25 g/mol
LogP6.52
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole

2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole (PubChem CID 59240328) has the molecular formula C22H15Cl2IN2O2S and a molecular weight of 569.25 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole
PubChem CID59240328
Molecular FormulaC22H15Cl2IN2O2S
Molecular Weight569.25 g/mol
Exact Mass567.93
IUPAC Name2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(I)nc3-c3cccc(Cl)c3Cl)cc2)c1
InChIInChI=1S/C22H15Cl2IN2O2S/c1-30(28,29)17-5-2-4-15(12-17)14-8-10-16(11-9-14)27-13-20(25)26-22(27)18-6-3-7-19(23)21(18)24/h2-13H,1H3
InChIKeyVLFHLOVCXVBWLW-UHFFFAOYSA-N
XLogP6.52
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.25
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole?
The IUPAC name of 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole (CID 59240328) is 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole?
The canonical SMILES for 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(I)nc3-c3cccc(Cl)c3Cl)cc2)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole?
The InChIKey is VLFHLOVCXVBWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2IN2O2S/c1-30(28,29)17-5-2-4-15(12-17)14-8-10-16(11-9-14)27-13-20(25)26-22(27)18-6-3-7-19(23)21(18)24/h2-13H,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole?
2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole has a molecular weight of 569.25 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole is sourced from PubChem (CID 59240328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).