5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione

C25H30N2O4 — CID 18266768

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)c1ccccc1OCC(O)CN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C25H30N2O4/c1-16(2)21-9-4-5-10-22(21)31-15-20(28)14-27-23(29)25(3,26-24(27)30)19-12-11-17-7-6-8-18(17)13-19/h4-5,9-13,16,20,28H,6-8,14-15H2,1-3H3,(H,26,30)
InChIKeyAVAGAOOFAJAZRF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.51
Rot. Bonds7

About 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 18266768) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
PubChem CID18266768
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)c1ccccc1OCC(O)CN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C25H30N2O4/c1-16(2)21-9-4-5-10-22(21)31-15-20(28)14-27-23(29)25(3,26-24(27)30)19-12-11-17-7-6-8-18(17)13-19/h4-5,9-13,16,20,28H,6-8,14-15H2,1-3H3,(H,26,30)
InChIKeyAVAGAOOFAJAZRF-UHFFFAOYSA-N
XLogP3.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.51
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

5-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 46613397
3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 75671649
5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
CID 18086989
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7884396
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602072
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 7884293
3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 18273144
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
3,3-diethyl-1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
CID 42947875
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18087052
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 18204838

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione (CID 18266768) is 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione is CC(C)c1ccccc1OCC(O)CN1C(=O)NC(C)(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AVAGAOOFAJAZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-16(2)21-9-4-5-10-22(21)31-15-20(28)14-27-23(29)25(3,26-24(27)30)19-12-11-17-7-6-8-18(17)13-19/h4-5,9-13,16,20,28H,6-8,14-15H2,1-3H3,(H,26,30).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 422.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18266768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).