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

C24H19Cl2F6N5O3 — CID 175297012

About 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

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 (PubChem CID 175297012) has the molecular formula C24H19Cl2F6N5O3 and a molecular weight of 610.34 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 175297012
• Molecular Formula: C24H19Cl2F6N5O3
• Molecular Weight: 610.34 g/mol
• Exact Mass: 609.08
• IUPAC Name: 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
• SMILES: CC(O)c1nc(Cn2c(Cl)c(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nn1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H19Cl2F6N5O3/c1-12(38)21-33-18(34-37(21)16-4-2-3-14(9-16)23(27,28)29)11-36-20(26)19(13-5-7-15(25)8-6-13)35(22(36)40)10-17(39)24(30,31)32/h2-9,12,17,38-39H,10-11H2,1H3
• InChIKey: LDCVHAPHAAQMQD-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 98.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.34
LogP ≤ 5	5.25
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-(1-hydroxyethyl)-1-[3-(trifluoromethyl)phenyl]-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-(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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(O)c1nc(Cn2c(Cl)c(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)nn1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 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?

The InChIKey is LDCVHAPHAAQMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F6N5O3/c1-12(38)21-33-18(34-37(21)16-4-2-3-14(9-16)23(27,28)29)11-36-20(26)19(13-5-7-15(25)8-6-13)35(22(36)40)10-17(39)24(30,31)32/h2-9,12,17,38-39H,10-11H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 610.34 g/mol, XLogP of 5.25, 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-(1-hydroxyethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one is sourced from PubChem (CID 175297012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).