4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one

C23H19Cl3F3N5O3 — CID 164896574

About 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one

4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one (PubChem CID 164896574) has the molecular formula C23H19Cl3F3N5O3 and a molecular weight of 576.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
• PubChem CID: 164896574
• Molecular Formula: C23H19Cl3F3N5O3
• Molecular Weight: 576.79 g/mol
• Exact Mass: 575.05
• IUPAC Name: 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
• SMILES: C[C@H](O)c1nc(Cn2cc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C23H19Cl3F3N5O3/c1-12(35)21-30-20(31-34(21)17-7-15(25)6-16(26)8-17)11-32-9-18(13-2-4-14(24)5-3-13)33(22(32)37)10-19(36)23(27,28)29/h2-9,12,19,35-36H,10-11H2,1H3/t12-,19-/m0/s1
• InChIKey: BYTAOLVIZWNVDX-BUXKBTBVSA-N
• XLogP: 4.88
• TPSA: 98.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.79
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one?

The IUPAC name of 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one (CID 164896574) is 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one.

What is the SMILES notation for 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one?

The canonical SMILES for 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one is C[C@H](O)c1nc(Cn2cc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one?

The InChIKey is BYTAOLVIZWNVDX-BUXKBTBVSA-N. The full InChI is InChI=1S/C23H19Cl3F3N5O3/c1-12(35)21-30-20(31-34(21)17-7-15(25)6-16(26)8-17)11-32-9-18(13-2-4-14(24)5-3-13)33(22(32)37)10-19(36)23(27,28)29/h2-9,12,19,35-36H,10-11H2,1H3/t12-,19-/m0/s1.

What are the key properties of 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one?

4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one has a molecular weight of 576.79 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-1-[[1-(3,5-dichlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one is sourced from PubChem (CID 164896574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).