(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione

C26H19F4N3O4 — CID 71549692

IUPAC(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C1=O
InChIInChI=1S/C26H19F4N3O4/c1-15(17-7-9-18(27)10-8-17)33-23(34)25(37-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-11-19(13-21(20)32-22)36-26(28,29)30/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/m1/s1
InChIKeySVMOYANPDKACQM-SGANQWHYSA-N
MW513.45 g/mol
LogP5.78
Rot. Bonds6

About (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 71549692) has the molecular formula C26H19F4N3O4 and a molecular weight of 513.45 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
PubChem CID71549692
Molecular FormulaC26H19F4N3O4
Molecular Weight513.45 g/mol
Exact Mass513.13
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C1=O
InChIInChI=1S/C26H19F4N3O4/c1-15(17-7-9-18(27)10-8-17)33-23(34)25(37-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-11-19(13-21(20)32-22)36-26(28,29)30/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/m1/s1
InChIKeySVMOYANPDKACQM-SGANQWHYSA-N
XLogP5.78
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (CID 71549692) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is SVMOYANPDKACQM-SGANQWHYSA-N. The full InChI is InChI=1S/C26H19F4N3O4/c1-15(17-7-9-18(27)10-8-17)33-23(34)25(37-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-11-19(13-21(20)32-22)36-26(28,29)30/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 513.45 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71549692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).