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

C25H20FN3O3 — CID 71549691

IUPAC(5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C25H20FN3O3/c1-16(18-11-13-19(26)14-12-18)29-23(30)25(32-24(29)31,15-17-7-3-2-4-8-17)22-27-20-9-5-6-10-21(20)28-22/h2-14,16H,15H2,1H3,(H,27,28)/t16-,25-/m1/s1
InChIKeyQSDWWLCEDWKTOT-PUAOIOHZSA-N
MW429.45 g/mol
LogP4.88
Rot. Bonds5

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

(5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 71549691) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID71549691
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name(5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C25H20FN3O3/c1-16(18-11-13-19(26)14-12-18)29-23(30)25(32-24(29)31,15-17-7-3-2-4-8-17)22-27-20-9-5-6-10-21(20)28-22/h2-14,16H,15H2,1H3,(H,27,28)/t16-,25-/m1/s1
InChIKeyQSDWWLCEDWKTOT-PUAOIOHZSA-N
XLogP4.88
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
CID 71519686
(5R)-5-benzyl-5-(5-benzyl-1H-imidazol-2-yl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidine-2,4-dione
CID 71548690
(5R)-5-benzyl-5-(6-chloro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
CID 71549558
(5R)-5-benzyl-5-(6-fluoro-1H-benzimidazol-2-yl)-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
CID 71549690
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
CID 71549692
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
CID 71549694
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71549829
N-[2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-1H-benzimidazol-4-yl]methanesulfonamide
CID 71549969
2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 71550109
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550110
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-1,3-oxazolidine-2,4-dione
CID 71550241
(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyridin-3-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
CID 71550242

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione (CID 71549691) is (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccccc3[nH]2)C1=O.
What is the InChIKey of (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is QSDWWLCEDWKTOT-PUAOIOHZSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-16(18-11-13-19(26)14-12-18)29-23(30)25(32-24(29)31,15-17-7-3-2-4-8-17)22-27-20-9-5-6-10-21(20)28-22/h2-14,16H,15H2,1H3,(H,27,28)/t16-,25-/m1/s1.
What are the key properties of (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione?
(5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 429.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71549691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).