(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C19H20N2O4 — CID 31565993

IUPAC(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccccc3)C2=O)c1
InChIInChI=1S/C19H20N2O4/c1-19(14-9-6-10-15(11-14)25-2)17(23)21(18(24)20-19)12-16(22)13-7-4-3-5-8-13/h3-11,16,22H,12H2,1-2H3,(H,20,24)/t16-,19-/m1/s1
InChIKeySXXYIHDAJVAGQD-VQIMIIECSA-N
MW340.38 g/mol
LogP2.20
Rot. Bonds5

About (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 31565993) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID31565993
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccccc3)C2=O)c1
InChIInChI=1S/C19H20N2O4/c1-19(14-9-6-10-15(11-14)25-2)17(23)21(18(24)20-19)12-16(22)13-7-4-3-5-8-13/h3-11,16,22H,12H2,1-2H3,(H,20,24)/t16-,19-/m1/s1
InChIKeySXXYIHDAJVAGQD-VQIMIIECSA-N
XLogP2.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
(5R)-3-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31566247
5-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)-5-methylimidazolidine-2,4-dione
CID 17478863
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17491461
3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 25497659
2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile
CID 55410170
(5R)-3-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 94081397
(5S)-3-[(2-ethoxyphenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 8010720

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 31565993) is (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1cccc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccccc3)C2=O)c1.
What is the InChIKey of (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SXXYIHDAJVAGQD-VQIMIIECSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(14-9-6-10-15(11-14)25-2)17(23)21(18(24)20-19)12-16(22)13-7-4-3-5-8-13/h3-11,16,22H,12H2,1-2H3,(H,20,24)/t16-,19-/m1/s1.
What are the key properties of (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 31565993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).