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

C24H22Cl2F3N5O3 — CID 175297142

About 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

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 (PubChem CID 175297142) has the molecular formula C24H22Cl2F3N5O3 and a molecular weight of 556.37 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 175297142
• Molecular Formula: C24H22Cl2F3N5O3
• Molecular Weight: 556.37 g/mol
• Exact Mass: 555.11
• IUPAC Name: 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
• SMILES: Cc1ccccc1-n1nc(Cn2c(Cl)c(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nc1[C@H](C)O
• InChI: InChI=1S/C24H22Cl2F3N5O3/c1-13-5-3-4-6-17(13)34-22(14(2)35)30-19(31-34)12-33-21(26)20(15-7-9-16(25)10-8-15)32(23(33)37)11-18(36)24(27,28)29/h3-10,14,18,35-36H,11-12H2,1-2H3/t14-,18?/m0/s1
• InChIKey: TVEJRJZDYXAACD-PIVQAISJSA-N
• XLogP: 4.54
• 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	556.37
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccccc1-n1nc(Cn2c(Cl)c(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nc1[C@H](C)O.

What is the InChIKey of 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?

The InChIKey is TVEJRJZDYXAACD-PIVQAISJSA-N. The full InChI is InChI=1S/C24H22Cl2F3N5O3/c1-13-5-3-4-6-17(13)34-22(14(2)35)30-19(31-34)12-33-21(26)20(15-7-9-16(25)10-8-15)32(23(33)37)11-18(36)24(27,28)29/h3-10,14,18,35-36H,11-12H2,1-2H3/t14-,18?/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 556.37 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 175297142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).