(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

C29H24FN5O3 — CID 71550241

IUPAC(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
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cnn(C)c4)cc3[nH]2)C1=O
InChIInChI=1S/C29H24FN5O3/c1-18(20-8-11-23(30)12-9-20)35-27(36)29(38-28(35)37,15-19-6-4-3-5-7-19)26-32-24-13-10-21(14-25(24)33-26)22-16-31-34(2)17-22/h3-14,16-18H,15H2,1-2H3,(H,32,33)/t18-,29-/m1/s1
InChIKeyDELKGHFUZARRAN-LDLUVENISA-N
MW509.54 g/mol
LogP5.28
Rot. Bonds6

About (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

(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 (PubChem CID 71550241) has the molecular formula C29H24FN5O3 and a molecular weight of 509.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71550241
Molecular FormulaC29H24FN5O3
Molecular Weight509.54 g/mol
Exact Mass509.19
IUPAC Name(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
SMILESC[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cnn(C)c4)cc3[nH]2)C1=O
InChIInChI=1S/C29H24FN5O3/c1-18(20-8-11-23(30)12-9-20)35-27(36)29(38-28(35)37,15-19-6-4-3-5-7-19)26-32-24-13-10-21(14-25(24)33-26)22-16-31-34(2)17-22/h3-14,16-18H,15H2,1-2H3,(H,32,33)/t18-,29-/m1/s1
InChIKeyDELKGHFUZARRAN-LDLUVENISA-N
XLogP5.28
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cnn(C)c4)cc3[nH]2)C1=O.
What is the InChIKey of (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?
The InChIKey is DELKGHFUZARRAN-LDLUVENISA-N. The full InChI is InChI=1S/C29H24FN5O3/c1-18(20-8-11-23(30)12-9-20)35-27(36)29(38-28(35)37,15-19-6-4-3-5-7-19)26-32-24-13-10-21(14-25(24)33-26)22-16-31-34(2)17-22/h3-14,16-18H,15H2,1-2H3,(H,32,33)/t18-,29-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 509.54 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71550241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).