(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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Related Compounds

(2S)-4-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenyl-3-[(4-phenylphenyl)methyl]imidazolidin-1-yl]pentanoic acid
CID 69083920
(3S)-3-(1,3-benzodioxol-5-yl)-3-[[(2S)-2-[(4S)-3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylpentanoyl]amino]propanoic acid;molecular hydrogen
CID 160935409
(3R)-3-[[(2R)-2-[4,4-dimethyl-2,5-dioxo-3-[[4-[(E)-2-phenylethenyl]phenyl]methyl]imidazolidin-1-yl]-4-methylpentanoyl]amino]butanoic acid
CID 135550511
(3S)-3-(2,4-dimethoxy-6-methylcyclohexa-2,4-dien-1-yl)-3-[[4-methyl-2-[4-methyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxo-4-phenylimidazolidin-1-yl]pentanoyl]amino]propanoic acid
CID 163821536
(3S)-3-amino-4-[2-(N-[4-methyl-2-[4-methyl-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]-2,5-dioxo-4-phenylimidazolidin-1-yl]pentanoyl]anilino)acetyl]oxy-4-oxobutanoic acid
CID 91098750
2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 23510007
3-[[2-[3-[[4-[2-(2-fluorophenyl)ethynyl]phenyl]methyl]-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]butanoic acid
CID 18758566
4-[[carboxy(phenyl)methyl]amino]-3-[[2-[4,4-dimethyl-3-[[4-(methylcarbamoylamino)phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 20714315
3-[[2-(3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 22096523
(2R)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 6936156
benzyl 2-[(4S)-3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 86588626
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675

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).