2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile

C26H19FN4O3 — CID 122178359

IUPAC2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(C#N)cc3[nH]2)C1=O
InChIInChI=1S/C26H19FN4O3/c1-16(19-8-10-20(27)11-9-19)31-24(32)26(34-25(31)33,14-17-5-3-2-4-6-17)23-29-21-12-7-18(15-28)13-22(21)30-23/h2-13,16H,14H2,1H3,(H,29,30)/t16-,26-/m1/s1
InChIKeySUAOZSXHWHVHPJ-AKJBCIBTSA-N
MW454.46 g/mol
LogP4.75
Rot. Bonds5

About 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile

2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile (PubChem CID 122178359) has the molecular formula C26H19FN4O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile
PubChem CID122178359
Molecular FormulaC26H19FN4O3
Molecular Weight454.46 g/mol
Exact Mass454.14
IUPAC Name2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(C#N)cc3[nH]2)C1=O
InChIInChI=1S/C26H19FN4O3/c1-16(19-8-10-20(27)11-9-19)31-24(32)26(34-25(31)33,14-17-5-3-2-4-6-17)23-29-21-12-7-18(15-28)13-22(21)30-23/h2-13,16H,14H2,1H3,(H,29,30)/t16-,26-/m1/s1
InChIKeySUAOZSXHWHVHPJ-AKJBCIBTSA-N
XLogP4.75
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-2-oxo-1-oxa-3-azaspiro[4.5]decan-8-yl]-3H-benzimidazole-5-carbonitrile
CID 25072877
2-(2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decan-8-yl)-3H-benzimidazole-5-carbonitrile
CID 25073190
(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-(1H-benzimidazol-2-yl)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-oxazolidine-2,4-dione
CID 71549691
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile (CID 122178359) is 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(C#N)cc3[nH]2)C1=O.
What is the InChIKey of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is SUAOZSXHWHVHPJ-AKJBCIBTSA-N. The full InChI is InChI=1S/C26H19FN4O3/c1-16(19-8-10-20(27)11-9-19)31-24(32)26(34-25(31)33,14-17-5-3-2-4-6-17)23-29-21-12-7-18(15-28)13-22(21)30-23/h2-13,16H,14H2,1H3,(H,29,30)/t16-,26-/m1/s1.
What are the key properties of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile?
2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 454.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 122178359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).