(5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione

C23H26N2O5 — CID 58057241

IUPAC(5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCC(C)[C@H](C(=O)CO)N1C(=O)N[C@@H](CCc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C23H26N2O5/c1-15(2)21(20(27)14-26)25-22(28)19(24-23(25)29)13-10-16-8-11-18(12-9-16)30-17-6-4-3-5-7-17/h3-9,11-12,15,19,21,26H,10,13-14H2,1-2H3,(H,24,29)/t19-,21+/m0/s1
InChIKeyHYCWHSOWDQEVNV-PZJWPPBQSA-N
MW410.47 g/mol
LogP2.92
Rot. Bonds9

About (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione

(5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 58057241) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID58057241
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCC(C)[C@H](C(=O)CO)N1C(=O)N[C@@H](CCc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C23H26N2O5/c1-15(2)21(20(27)14-26)25-22(28)19(24-23(25)29)13-10-16-8-11-18(12-9-16)30-17-6-4-3-5-7-17/h3-9,11-12,15,19,21,26H,10,13-14H2,1-2H3,(H,24,29)/t19-,21+/m0/s1
InChIKeyHYCWHSOWDQEVNV-PZJWPPBQSA-N
XLogP2.92
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione (CID 58057241) is (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione is CC(C)[C@H](C(=O)CO)N1C(=O)N[C@@H](CCc2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is HYCWHSOWDQEVNV-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15(2)21(20(27)14-26)25-22(28)19(24-23(25)29)13-10-16-8-11-18(12-9-16)30-17-6-4-3-5-7-17/h3-9,11-12,15,19,21,26H,10,13-14H2,1-2H3,(H,24,29)/t19-,21+/m0/s1.
What are the key properties of (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione?
(5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 410.47 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3R)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-5-[2-(4-phenoxyphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58057241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).