(5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C22H27N3O2 — CID 9280054

IUPAC(5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CN(C)Cc2ccc(C)cc2C)C1=O
InChIInChI=1S/C22H27N3O2/c1-5-22(19-9-7-6-8-10-19)20(26)25(21(27)23-22)15-24(4)14-18-12-11-16(2)13-17(18)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)/t22-/m1/s1
InChIKeyZIBDFNXNGPXLRX-JOCHJYFZSA-N
MW365.48 g/mol
LogP3.55
Rot. Bonds6

About (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9280054) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID9280054
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CN(C)Cc2ccc(C)cc2C)C1=O
InChIInChI=1S/C22H27N3O2/c1-5-22(19-9-7-6-8-10-19)20(26)25(21(27)23-22)15-24(4)14-18-12-11-16(2)13-17(18)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)/t22-/m1/s1
InChIKeyZIBDFNXNGPXLRX-JOCHJYFZSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
(2,4-dimethylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55332610
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791201
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
(4,5-dimethoxy-2-methylphenyl)methyl-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
CID 9234216
(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16550582
3-[(2-bromo-4-fluorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 24605688
(3aS,7aS)-2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11938516
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309960
(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9193036
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 9280054) is (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(CN(C)Cc2ccc(C)cc2C)C1=O.
What is the InChIKey of (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is ZIBDFNXNGPXLRX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-5-22(19-9-7-6-8-10-19)20(26)25(21(27)23-22)15-24(4)14-18-12-11-16(2)13-17(18)3/h6-13H,5,14-15H2,1-4H3,(H,23,27)/t22-/m1/s1.
What are the key properties of (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 365.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9280054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).