3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C23H28N2O5 — CID 17491461

IUPAC3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(C2(C)NC(=O)N(CC(O)COc3c(C)ccc(C)c3C)C2=O)c1
InChIInChI=1S/C23H28N2O5/c1-14-9-10-15(2)20(16(14)3)30-13-18(26)12-25-21(27)23(4,24-22(25)28)17-7-6-8-19(11-17)29-5/h6-11,18,26H,12-13H2,1-5H3,(H,24,28)
InChIKeyCNWKIRQIYVWGCU-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.83
Rot. Bonds7

About 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione

3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 17491461) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID17491461
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(C2(C)NC(=O)N(CC(O)COc3c(C)ccc(C)c3C)C2=O)c1
InChIInChI=1S/C23H28N2O5/c1-14-9-10-15(2)20(16(14)3)30-13-18(26)12-25-21(27)23(4,24-22(25)28)17-7-6-8-19(11-17)29-5/h6-11,18,26H,12-13H2,1-5H3,(H,24,28)
InChIKeyCNWKIRQIYVWGCU-UHFFFAOYSA-N
XLogP2.83
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
(5R)-3-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31566247
2-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propoxy]phenyl]acetonitrile
CID 55410170
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25372678
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
(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

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 17491461) is 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1cccc(C2(C)NC(=O)N(CC(O)COc3c(C)ccc(C)c3C)C2=O)c1.
What is the InChIKey of 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is CNWKIRQIYVWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-14-9-10-15(2)20(16(14)3)30-13-18(26)12-25-21(27)23(4,24-22(25)28)17-7-6-8-19(11-17)29-5/h6-11,18,26H,12-13H2,1-5H3,(H,24,28).
What are the key properties of 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 17491461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).