[(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate

C25H20Cl4F3N5O4 — CID 164896631

IUPAC[(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1nc(Cn2c(Cl)c(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H20Cl4F3N5O4/c1-12(41-13(2)38)23-33-19(34-37(23)17-5-3-4-16(27)20(17)28)11-36-22(29)21(14-6-8-15(26)9-7-14)35(24(36)40)10-18(39)25(30,31)32/h3-9,12,18,39H,10-11H2,1-2H3/t12-,18-/m0/s1
InChIKeyHAZAYTDRJBIKOY-SGTLLEGYSA-N
MW653.27 g/mol
LogP6.11
Rot. Bonds8

About [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate

[(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate (PubChem CID 164896631) has the molecular formula C25H20Cl4F3N5O4 and a molecular weight of 653.27 g/mol. Its IUPAC name is [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate
PubChem CID164896631
Molecular FormulaC25H20Cl4F3N5O4
Molecular Weight653.27 g/mol
Exact Mass651.02
IUPAC Name[(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1nc(Cn2c(Cl)c(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H20Cl4F3N5O4/c1-12(41-13(2)38)23-33-19(34-37(23)17-5-3-4-16(27)20(17)28)11-36-22(29)21(14-6-8-15(26)9-7-14)35(24(36)40)10-18(39)25(30,31)32/h3-9,12,18,39H,10-11H2,1-2H3/t12-,18-/m0/s1
InChIKeyHAZAYTDRJBIKOY-SGTLLEGYSA-N
XLogP6.11
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.27
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate 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

[(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2-chloro-5-fluorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate
CID 164896652
5-chloro-4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175297142
[(1S)-1-[5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-2-[2-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl] acetate
CID 138608556
5-chloro-4-(4-chlorophenyl)-1-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175296980
5-chloro-4-(4-chlorophenyl)-1-[[5-(1-hydroxyethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
CID 175297012
[(1S)-1-[5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-2-(2-sulfamoylphenyl)-1,2,4-triazol-3-yl]ethyl] acetate
CID 142564092
1-[2-(2-chloro-4-fluorophenyl)-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]ethyl acetate
CID 155126082
5-(4-chlorophenyl)-3-[[1-(2-chlorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-2-oxo-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carbonitrile
CID 175297042
1-[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-[4-chloro-2-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl acetate
CID 138608576
1-[5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl acetate
CID 138608539
[(1S)-1-[5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethyl] acetate
CID 138608535
1-[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl acetate
CID 138611295

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate?
The IUPAC name of [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate (CID 164896631) is [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate.
What is the SMILES notation for [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate?
The canonical SMILES for [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate is CC(=O)O[C@@H](C)c1nc(Cn2c(Cl)c(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate?
The InChIKey is HAZAYTDRJBIKOY-SGTLLEGYSA-N. The full InChI is InChI=1S/C25H20Cl4F3N5O4/c1-12(41-13(2)38)23-33-19(34-37(23)17-5-3-4-16(27)20(17)28)11-36-22(29)21(14-6-8-15(26)9-7-14)35(24(36)40)10-18(39)25(30,31)32/h3-9,12,18,39H,10-11H2,1-2H3/t12-,18-/m0/s1.
What are the key properties of [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate?
[(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate has a molecular weight of 653.27 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[5-[[5-chloro-4-(4-chlorophenyl)-2-oxo-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-1-yl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]ethyl] acetate is sourced from PubChem (CID 164896631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).