2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

C25H19Cl4FN2O2S — CID 66740936

IUPAC2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19Cl4FN2O2S/c1-25(2,16-4-10-20(27)22(29)11-16)23-13-31-24(32(23)19-8-6-18(30)7-9-19)35(33,34)14-15-3-5-17(26)12-21(15)28/h3-13H,14H2,1-2H3
InChIKeyDCWOAPVNFZVLDV-UHFFFAOYSA-N
MW572.32 g/mol
LogP7.92
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole

2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (PubChem CID 66740936) has the molecular formula C25H19Cl4FN2O2S and a molecular weight of 572.32 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
PubChem CID66740936
Molecular FormulaC25H19Cl4FN2O2S
Molecular Weight572.32 g/mol
Exact Mass569.99
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C25H19Cl4FN2O2S/c1-25(2,16-4-10-20(27)22(29)11-16)23-13-31-24(32(23)19-8-6-18(30)7-9-19)35(33,34)14-15-3-5-17(26)12-21(15)28/h3-13H,14H2,1-2H3
InChIKeyDCWOAPVNFZVLDV-UHFFFAOYSA-N
XLogP7.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.32
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole (CID 66740936) is 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
The InChIKey is DCWOAPVNFZVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl4FN2O2S/c1-25(2,16-4-10-20(27)22(29)11-16)23-13-31-24(32(23)19-8-6-18(30)7-9-19)35(33,34)14-15-3-5-17(26)12-21(15)28/h3-13H,14H2,1-2H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole?
2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole has a molecular weight of 572.32 g/mol, XLogP of 7.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfonyl]-5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole is sourced from PubChem (CID 66740936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).