(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C22H26N2O2 — CID 7917027

IUPAC(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)18-12-9-17(10-13-18)15-24-20(25)19(23-21(24)26)14-11-16-7-5-4-6-8-16/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyCWURPNXKNXAMMW-IBGZPJMESA-N
MW350.46 g/mol
LogP4.04
Rot. Bonds5

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

(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 7917027) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID7917027
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)18-12-9-17(10-13-18)15-24-20(25)19(23-21(24)26)14-11-16-7-5-4-6-8-16/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyCWURPNXKNXAMMW-IBGZPJMESA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.04
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

4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
CID 2598097
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40751097
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 47117412
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 55410209
3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 75865261
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409
(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40880325
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 7917027) is (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is CC(C)(C)c1ccc(CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)cc1.
What is the InChIKey of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is CWURPNXKNXAMMW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)18-12-9-17(10-13-18)15-24-20(25)19(23-21(24)26)14-11-16-7-5-4-6-8-16/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 350.46 g/mol, XLogP of 4.04, 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-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7917027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).