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

C25H19ClF3N5O2S — CID 90447352

IUPAC4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cnc(C(F)(F)F)c3)c(N3NNC=C3c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C25H19ClF3N5O2S/c1-37(35,36)20-4-2-3-17(11-20)18-7-10-21(33-14-24(30-15-33)25(27,28)29)22(12-18)34-23(13-31-32-34)16-5-8-19(26)9-6-16/h2-15,31-32H,1H3
InChIKeyCLJWDGSQUISMHY-UHFFFAOYSA-N
MW545.97 g/mol
LogP5.44
Rot. Bonds5

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

4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole (PubChem CID 90447352) has the molecular formula C25H19ClF3N5O2S and a molecular weight of 545.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole
PubChem CID90447352
Molecular FormulaC25H19ClF3N5O2S
Molecular Weight545.97 g/mol
Exact Mass545.09
IUPAC Name4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cnc(C(F)(F)F)c3)c(N3NNC=C3c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C25H19ClF3N5O2S/c1-37(35,36)20-4-2-3-17(11-20)18-7-10-21(33-14-24(30-15-33)25(27,28)29)22(12-18)34-23(13-31-32-34)16-5-8-19(26)9-6-16/h2-15,31-32H,1H3
InChIKeyCLJWDGSQUISMHY-UHFFFAOYSA-N
XLogP5.44
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.97
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-chlorophenyl)methyl]-1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
CID 90446963
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
2-[2-(2,6-dichlorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 15948381
2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251471
1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole
CID 59240491
1-(2,4-difluorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656654
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonamide
CID 57468918
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonic acid
CID 57468919
1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]triazole
CID 122616833
1-(2-bromophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 68656338
1-[3-chloro-1-methylsulfonyl-5-phenyl-2-[4-(trifluoromethyl)imidazol-1-yl]cyclohexa-2,4-dien-1-yl]-5-(4-chlorophenyl)triazole
CID 122616840
2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 141164353

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole?
The IUPAC name of 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole (CID 90447352) is 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole.
What is the SMILES notation for 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole?
The canonical SMILES for 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole is CS(=O)(=O)c1cccc(-c2ccc(-n3cnc(C(F)(F)F)c3)c(N3NNC=C3c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole?
The InChIKey is CLJWDGSQUISMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N5O2S/c1-37(35,36)20-4-2-3-17(11-20)18-7-10-21(33-14-24(30-15-33)25(27,28)29)22(12-18)34-23(13-31-32-34)16-5-8-19(26)9-6-16/h2-15,31-32H,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole?
4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole has a molecular weight of 545.97 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-[5-(3-methylsulfonylphenyl)-2-[4-(trifluoromethyl)imidazol-1-yl]phenyl]-1,2-dihydrotriazole is sourced from PubChem (CID 90447352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).