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

C23H18Cl4F3N5O3 — CID 175296980

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

5-chloro-4-(4-chlorophenyl)-1-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one (PubChem CID 175296980) has the molecular formula C23H18Cl4F3N5O3 and a molecular weight of 611.24 g/mol. Its IUPAC name is 5-chloro-4-(4-chlorophenyl)-1-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-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-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one
• PubChem CID: 175296980
• Molecular Formula: C23H18Cl4F3N5O3
• Molecular Weight: 611.24 g/mol
• Exact Mass: 609.01
• IUPAC Name: 5-chloro-4-(4-chlorophenyl)-1-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-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-c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H18Cl4F3N5O3/c1-11(36)21-31-18(32-35(21)14-6-7-15(25)16(26)8-14)10-34-20(27)19(12-2-4-13(24)5-3-12)33(22(34)38)9-17(37)23(28,29)30/h2-8,11,17,36-37H,9-10H2,1H3
• InChIKey: GOFXJKVTHRRJRN-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 98.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.24
LogP ≤ 5	5.54
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-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-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-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one (CID 175296980) is 5-chloro-4-(4-chlorophenyl)-1-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-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-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-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-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-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-c1ccc(Cl)c(Cl)c1.

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

The InChIKey is GOFXJKVTHRRJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl4F3N5O3/c1-11(36)21-31-18(32-35(21)14-6-7-15(25)16(26)8-14)10-34-20(27)19(12-2-4-13(24)5-3-12)33(22(34)38)9-17(37)23(28,29)30/h2-8,11,17,36-37H,9-10H2,1H3.

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

5-chloro-4-(4-chlorophenyl)-1-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one has a molecular weight of 611.24 g/mol, XLogP of 5.54, 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-[[1-(3,4-dichlorophenyl)-5-(1-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-3-(3,3,3-trifluoro-2-hydroxypropyl)imidazol-2-one is sourced from PubChem (CID 175296980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).