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

C26H19F4N3O3 — CID 71519686

IUPAC(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1=O
InChIInChI=1S/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/m1/s1
InChIKeySAHIAXKCYNHCNR-SGANQWHYSA-N
MW497.45 g/mol
LogP5.90
Rot. Bonds5

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

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 71519686) has the molecular formula C26H19F4N3O3 and a molecular weight of 497.45 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-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-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
PubChem CID71519686
Molecular FormulaC26H19F4N3O3
Molecular Weight497.45 g/mol
Exact Mass497.14
IUPAC Name(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1=O
InChIInChI=1S/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-,25-/m1/s1
InChIKeySAHIAXKCYNHCNR-SGANQWHYSA-N
XLogP5.90
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.45
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-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-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione (CID 71519686) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(C(F)(F)F)cc3[nH]2)C1=O.
What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is SAHIAXKCYNHCNR-SGANQWHYSA-N. The full InChI is InChI=1S/C26H19F4N3O3/c1-15(17-7-10-19(27)11-8-17)33-23(34)25(36-24(33)35,14-16-5-3-2-4-6-16)22-31-20-12-9-18(26(28,29)30)13-21(20)32-22/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-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione?
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 497.45 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71519686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).