(2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate

C23H25N2O4- — CID 131723411

IUPAC(2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate
SMILESCC(C)C[C@@H](C(=O)[O-])N1C(=O)N(Cc2ccccc2)[C@@](C)(c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O4/c1-16(2)14-19(20(26)27)25-21(28)23(3,18-12-8-5-9-13-18)24(22(25)29)15-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3,(H,26,27)/p-1/t19-,23-/m0/s1
InChIKeyXEDVKEAGEHUTQQ-CVDCTZTESA-M
MW393.46 g/mol
LogP2.53
Rot. Bonds7

About (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate

(2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate (PubChem CID 131723411) has the molecular formula C23H25N2O4- and a molecular weight of 393.46 g/mol. Its IUPAC name is (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate
PubChem CID131723411
Molecular FormulaC23H25N2O4-
Molecular Weight393.46 g/mol
Exact Mass393.18
IUPAC Name(2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate
SMILESCC(C)C[C@@H](C(=O)[O-])N1C(=O)N(Cc2ccccc2)[C@@](C)(c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O4/c1-16(2)14-19(20(26)27)25-21(28)23(3,18-12-8-5-9-13-18)24(22(25)29)15-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3,(H,26,27)/p-1/t19-,23-/m0/s1
InChIKeyXEDVKEAGEHUTQQ-CVDCTZTESA-M
XLogP2.53
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate?
The IUPAC name of (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate (CID 131723411) is (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate.
What is the SMILES notation for (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate?
The canonical SMILES for (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate is CC(C)C[C@@H](C(=O)[O-])N1C(=O)N(Cc2ccccc2)[C@@](C)(c2ccccc2)C1=O.
What is the InChIKey of (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate?
The InChIKey is XEDVKEAGEHUTQQ-CVDCTZTESA-M. The full InChI is InChI=1S/C23H26N2O4/c1-16(2)14-19(20(26)27)25-21(28)23(3,18-12-8-5-9-13-18)24(22(25)29)15-17-10-6-4-7-11-17/h4-13,16,19H,14-15H2,1-3H3,(H,26,27)/p-1/t19-,23-/m0/s1.
What are the key properties of (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate?
(2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate has a molecular weight of 393.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoate is sourced from PubChem (CID 131723411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).