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

C25H19F2N3O3 — CID 71549690

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

(5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 71549690) has the molecular formula C25H19F2N3O3 and a molecular weight of 447.44 g/mol. Its IUPAC name is (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 71549690
• Molecular Formula: C25H19F2N3O3
• Molecular Weight: 447.44 g/mol
• Exact Mass: 447.14
• IUPAC Name: (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
• SMILES: C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(F)cc3[nH]2)C1=O
• InChI: InChI=1S/C25H19F2N3O3/c1-15(17-7-9-18(26)10-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-11-19(27)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/m1/s1
• InChIKey: JBQQHKBRQFMPOV-SGANQWHYSA-N
• XLogP: 5.02
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.44
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (CID 71549690) is (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(F)cc3[nH]2)C1=O.

What is the InChIKey of (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

The InChIKey is JBQQHKBRQFMPOV-SGANQWHYSA-N. The full InChI is InChI=1S/C25H19F2N3O3/c1-15(17-7-9-18(26)10-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-11-19(27)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/m1/s1.

What are the key properties of (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?

(5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 447.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71549690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).