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

C24H23ClF3N5O3 — CID 164896628

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

4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one (PubChem CID 164896628) has the molecular formula C24H23ClF3N5O3 and a molecular weight of 521.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-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-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
• PubChem CID: 164896628
• Molecular Formula: C24H23ClF3N5O3
• Molecular Weight: 521.93 g/mol
• Exact Mass: 521.14
• IUPAC Name: 4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one
• SMILES: Cc1ccccc1-n1nc(Cn2cc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1[C@H](C)O
• InChI: InChI=1S/C24H23ClF3N5O3/c1-14-5-3-4-6-18(14)33-22(15(2)34)29-21(30-33)13-31-11-19(16-7-9-17(25)10-8-16)32(23(31)36)12-20(35)24(26,27)28/h3-11,15,20,34-35H,12-13H2,1-2H3/t15-,20-/m0/s1
• InChIKey: NETPEZBDKFNJGP-YWZLYKJASA-N
• XLogP: 3.88
• TPSA: 98.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.93
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-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-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one (CID 164896628) is 4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-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-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-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-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one is Cc1ccccc1-n1nc(Cn2cc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1[C@H](C)O.

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

The InChIKey is NETPEZBDKFNJGP-YWZLYKJASA-N. The full InChI is InChI=1S/C24H23ClF3N5O3/c1-14-5-3-4-6-18(14)33-22(15(2)34)29-21(30-33)13-31-11-19(16-7-9-17(25)10-8-16)32(23(31)36)12-20(35)24(26,27)28/h3-11,15,20,34-35H,12-13H2,1-2H3/t15-,20-/m0/s1.

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

4-(4-chlorophenyl)-1-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one has a molecular weight of 521.93 g/mol, XLogP of 3.88, 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-[[5-[(1S)-1-hydroxyethyl]-1-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]imidazol-2-one is sourced from PubChem (CID 164896628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).