(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione

C17H16N2O3 — CID 156703188

IUPAC(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2O3/c1-12-16(21)19(14-7-9-15(20)10-8-14)17(22)18(12)11-13-5-3-2-4-6-13/h2-10,12,20H,11H2,1H3/t12-/m0/s1
InChIKeyFQMRXUZRAMPTSY-LBPRGKRZSA-N
MW296.33 g/mol
LogP2.75
Rot. Bonds3

About (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione

(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 156703188) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID156703188
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2O3/c1-12-16(21)19(14-7-9-15(20)10-8-14)17(22)18(12)11-13-5-3-2-4-6-13/h2-10,12,20H,11H2,1H3/t12-/m0/s1
InChIKeyFQMRXUZRAMPTSY-LBPRGKRZSA-N
XLogP2.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.75
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

(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 97046899
methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate
CID 156703245
4-[[(5S)-3-(4-chlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 156703195
(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione
CID 154708544
(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione
CID 10853143
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 101259421
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
4-[4-benzyl-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]benzoic acid
CID 57422389
(3R)-3-benzyl-1-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 804537
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-naphthalen-1-ylimidazolidine-2,4-dione
CID 101259426
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 7289774

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione (CID 156703188) is (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is FQMRXUZRAMPTSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-16(21)19(14-7-9-15(20)10-8-14)17(22)18(12)11-13-5-3-2-4-6-13/h2-10,12,20H,11H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 156703188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).