(5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

C17H24N2O2 — CID 26201581

IUPAC(5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyCTDZHQXPMZUNNH-AWEZNQCLSA-N
MW288.39 g/mol
LogP3.06
Rot. Bonds3

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

(5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 26201581) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID26201581
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyCTDZHQXPMZUNNH-AWEZNQCLSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.06
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

Ethotoin
CID 3292
Mephenytoin
CID 4060
Phenylhydantoin
CID 1002
Mephenytoin, (+)-
CID 107921
Methetoin
CID 21908
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
5-(4-Tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 3718519
Smac peptido-mimetic 1
CID 11200722
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 26201581) is (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@@H]1NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is CTDZHQXPMZUNNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)14-15(20)19(16(21)18-14)10-12-6-8-13(9-7-12)17(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[(4-tert-butylphenyl)methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 288.39 g/mol, XLogP of 3.06, 3 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-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 26201581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).