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

C24H19Cl2F3N6O3 — CID 175297042

About 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

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 (PubChem CID 175297042) has the molecular formula C24H19Cl2F3N6O3 and a molecular weight of 567.36 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 175297042
• Molecular Formula: C24H19Cl2F3N6O3
• Molecular Weight: 567.36 g/mol
• Exact Mass: 566.08
• IUPAC Name: 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
• SMILES: CC(O)c1nc(Cn2c(C#N)c(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl
• InChI: InChI=1S/C24H19Cl2F3N6O3/c1-13(36)22-31-20(32-35(22)17-5-3-2-4-16(17)26)12-33-18(10-30)21(14-6-8-15(25)9-7-14)34(23(33)38)11-19(37)24(27,28)29/h2-9,13,19,36-37H,11-12H2,1H3
• InChIKey: HWHVZOTZHRAMOL-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 121.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.36
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(O)c1nc(Cn2c(C#N)c(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl.

What is the InChIKey of 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?

The InChIKey is HWHVZOTZHRAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N6O3/c1-13(36)22-31-20(32-35(22)17-5-3-2-4-16(17)26)12-33-18(10-30)21(14-6-8-15(25)9-7-14)34(23(33)38)11-19(37)24(27,28)29/h2-9,13,19,36-37H,11-12H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 567.36 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 175297042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).