(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione

C23H28N2O2 — CID 25465314

IUPAC(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-5-15-23(19-9-7-6-8-10-19)20(26)25(21(27)24-23)16-17-11-13-18(14-12-17)22(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,24,27)/t23-/m0/s1
InChIKeyXDQKHODYAMQLTK-QHCPKHFHSA-N
MW364.49 g/mol
LogP4.73
Rot. Bonds5

About (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione

(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione (PubChem CID 25465314) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
PubChem CID25465314
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C23H28N2O2/c1-5-15-23(19-9-7-6-8-10-19)20(26)25(21(27)24-23)16-17-11-13-18(14-12-17)22(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,24,27)/t23-/m0/s1
InChIKeyXDQKHODYAMQLTK-QHCPKHFHSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
CID 40820348
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
(5S)-5-phenyl-5-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40882948
(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7041273
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione (CID 25465314) is (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione is CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
The InChIKey is XDQKHODYAMQLTK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-5-15-23(19-9-7-6-8-10-19)20(26)25(21(27)24-23)16-17-11-13-18(14-12-17)22(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,24,27)/t23-/m0/s1.
What are the key properties of (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione?
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione has a molecular weight of 364.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 25465314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).