2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole

C51H35Cl2F3N6O6S2 — CID 159602988

IUPAC2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4ncco4)nc3-c3ccccc3C(F)(F)F)cc2)c1.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4ncco4)nc3-c3ccccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C26H18F3N3O3S.C25H17Cl2N3O3S/c1-36(33,34)20-6-4-5-18(15-20)17-9-11-19(12-10-17)32-16-23(25-30-13-14-35-25)31-24(32)21-7-2-3-8-22(21)26(27,28)29;1-34(31,32)18-6-4-5-16(13-18)17-9-10-23(21(27)14-17)30-15-22(25-28-11-12-33-25)29-24(30)19-7-2-3-8-20(19)26/h2-16H,1H3;2-15H,1H3
InChIKeyMLSJVWKIKFPEJP-UHFFFAOYSA-N
MW1019.91 g/mol
LogP12.86
Rot. Bonds10

About 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole

2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole (PubChem CID 159602988) has the molecular formula C51H35Cl2F3N6O6S2 and a molecular weight of 1019.91 g/mol. Its IUPAC name is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole
PubChem CID159602988
Molecular FormulaC51H35Cl2F3N6O6S2
Molecular Weight1019.91 g/mol
Exact Mass1018.14
IUPAC Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4ncco4)nc3-c3ccccc3C(F)(F)F)cc2)c1.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4ncco4)nc3-c3ccccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C26H18F3N3O3S.C25H17Cl2N3O3S/c1-36(33,34)20-6-4-5-18(15-20)17-9-11-19(12-10-17)32-16-23(25-30-13-14-35-25)31-24(32)21-7-2-3-8-22(21)26(27,28)29;1-34(31,32)18-6-4-5-16(13-18)17-9-10-23(21(27)14-17)30-15-22(25-28-11-12-33-25)29-24(30)19-7-2-3-8-20(19)26/h2-16H,1H3;2-15H,1H3
InChIKeyMLSJVWKIKFPEJP-UHFFFAOYSA-N
XLogP12.86
TPSA155.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.91
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole (CID 159602988) is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4ncco4)nc3-c3ccccc3C(F)(F)F)cc2)c1.CS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4ncco4)nc3-c3ccccc3Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole?
The InChIKey is MLSJVWKIKFPEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O3S.C25H17Cl2N3O3S/c1-36(33,34)20-6-4-5-18(15-20)17-9-11-19(12-10-17)32-16-23(25-30-13-14-35-25)31-24(32)21-7-2-3-8-22(21)26(27,28)29;1-34(31,32)18-6-4-5-16(13-18)17-9-10-23(21(27)14-17)30-15-22(25-28-11-12-33-25)29-24(30)19-7-2-3-8-20(19)26/h2-16H,1H3;2-15H,1H3.
What are the key properties of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole?
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole has a molecular weight of 1019.91 g/mol, XLogP of 12.86, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole;2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 159602988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).