2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C25H15Cl2F3N4O3S — CID 59240114

IUPAC2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4nnc(C(F)(F)F)o4)nc3-c3ccccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C25H15Cl2F3N4O3S/c1-38(35,36)16-6-4-5-14(11-16)15-9-10-21(19(27)12-15)34-13-20(23-32-33-24(37-23)25(28,29)30)31-22(34)17-7-2-3-8-18(17)26/h2-13H,1H3
InChIKeyDSNCFOPFHLCOJG-UHFFFAOYSA-N
MW579.39 g/mol
LogP6.99
Rot. Bonds5

About 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 59240114) has the molecular formula C25H15Cl2F3N4O3S and a molecular weight of 579.39 g/mol. Its IUPAC name is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID59240114
Molecular FormulaC25H15Cl2F3N4O3S
Molecular Weight579.39 g/mol
Exact Mass578.02
IUPAC Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4nnc(C(F)(F)F)o4)nc3-c3ccccc3Cl)c(Cl)c2)c1
InChIInChI=1S/C25H15Cl2F3N4O3S/c1-38(35,36)16-6-4-5-14(11-16)15-9-10-21(19(27)12-15)34-13-20(23-32-33-24(37-23)25(28,29)30)31-22(34)17-7-2-3-8-18(17)26/h2-13H,1H3
InChIKeyDSNCFOPFHLCOJG-UHFFFAOYSA-N
XLogP6.99
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.39
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-(3'-(methylsulfonyl)biphenyl-4-yl)-2-(2-(trifluoromethyl)phenyl)-1H-imidazol-4-yl)-1,3,4-oxadiazole
CID 44176495
2-methyl-5-(1-(3'-(methylsulfonyl)biphenyl-4-yl)-2-(2-(trifluoromethyl)phenyl)-1H-imidazol-4-yl)-1,3,4-oxadiazole
CID 44176604
2-[1-[2-Chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole
CID 44176607
1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 59251558
2-[2-(2-Chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 44176605
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
2-[1-[2-Chloro-6-methyl-4-(3-methylsulfonylphenyl)cyclohexa-1,3-dien-1-yl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 162584751
1-(3-Chloro-3'-methanesulfonyl-biphenyl-4-yl)-2-(2,6-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 15947801
5-[1-[2-Chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole
CID 44176608
5-[1-(3-Chloro-3'-methanesulfonyl-biphenyl-4-yl)-2-(2,6-dichloro-phenyl)-1H-imidazol-4-yl]-3-methyl-[1,2,4]oxadiazole
CID 44177180
5-[2-[2-(2-Chlorophenyl)propan-2-yl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]-3-methyl-1,2,4-oxadiazole
CID 44177594
2-[1-[2-Chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-1,3-oxazole
CID 44178037

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 59240114) is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4nnc(C(F)(F)F)o4)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]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is DSNCFOPFHLCOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2F3N4O3S/c1-38(35,36)16-6-4-5-14(11-16)15-9-10-21(19(27)12-15)34-13-20(23-32-33-24(37-23)25(28,29)30)31-22(34)17-7-2-3-8-18(17)26/h2-13H,1H3.
What are the key properties of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)imidazol-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 579.39 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59240114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).