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

C32H26Cl2N2O4S2 — CID 67049428

IUPAC4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole
SMILESCS(=O)(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)cc1
InChIInChI=1S/C32H26Cl2N2O4S2/c1-41(37,38)27-14-8-23(9-15-27)20-36-21-31(29-16-13-26(33)19-30(29)34)35-32(36)17-10-22-6-11-24(12-7-22)25-4-3-5-28(18-25)42(2,39)40/h3-19,21H,20H2,1-2H3
InChIKeyJUSFZZGMASXTHG-UHFFFAOYSA-N
MW637.61 g/mol
LogP7.55
Rot. Bonds8

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

4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole (PubChem CID 67049428) has the molecular formula C32H26Cl2N2O4S2 and a molecular weight of 637.61 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole
PubChem CID67049428
Molecular FormulaC32H26Cl2N2O4S2
Molecular Weight637.61 g/mol
Exact Mass636.07
IUPAC Name4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole
SMILESCS(=O)(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)cc1
InChIInChI=1S/C32H26Cl2N2O4S2/c1-41(37,38)27-14-8-23(9-15-27)20-36-21-31(29-16-13-26(33)19-30(29)34)35-32(36)17-10-22-6-11-24(12-7-22)25-4-3-5-28(18-25)42(2,39)40/h3-19,21H,20H2,1-2H3
InChIKeyJUSFZZGMASXTHG-UHFFFAOYSA-N
XLogP7.55
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.61
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole (CID 67049428) is 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole is CS(=O)(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole?
The InChIKey is JUSFZZGMASXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N2O4S2/c1-41(37,38)27-14-8-23(9-15-27)20-36-21-31(29-16-13-26(33)19-30(29)34)35-32(36)17-10-22-6-11-24(12-7-22)25-4-3-5-28(18-25)42(2,39)40/h3-19,21H,20H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole?
4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole has a molecular weight of 637.61 g/mol, XLogP of 7.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-[2-[4-(3-methylsulfonylphenyl)phenyl]ethenyl]imidazole is sourced from PubChem (CID 67049428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).