3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

C22H22Cl2N2O4 — CID 75671649

IUPAC3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(CC(O)COc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H22Cl2N2O4/c1-22(15-6-5-13-3-2-4-14(13)9-15)20(28)26(21(29)25-22)11-17(27)12-30-19-8-7-16(23)10-18(19)24/h5-10,17,27H,2-4,11-12H2,1H3,(H,25,29)
InChIKeySWBVTZWBLSDMSY-UHFFFAOYSA-N
MW449.33 g/mol
LogP3.69
Rot. Bonds6

About 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 75671649) has the molecular formula C22H22Cl2N2O4 and a molecular weight of 449.33 g/mol. Its IUPAC name is 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
PubChem CID75671649
Molecular FormulaC22H22Cl2N2O4
Molecular Weight449.33 g/mol
Exact Mass448.10
IUPAC Name3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc3c(c2)CCC3)NC(=O)N(CC(O)COc2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C22H22Cl2N2O4/c1-22(15-6-5-13-3-2-4-14(13)9-15)20(28)26(21(29)25-22)11-17(27)12-30-19-8-7-16(23)10-18(19)24/h5-10,17,27H,2-4,11-12H2,1H3,(H,25,29)
InChIKeySWBVTZWBLSDMSY-UHFFFAOYSA-N
XLogP3.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 53.69
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
5-(2,3-dihydro-1H-inden-5-yl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 18266768
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 55665529
3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972535
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883923
(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 26715930
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
(5R)-3-[(5-chlorothiadiazol-4-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 9452500
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
(5S)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 8011147
5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-(3-phenoxypropyl)imidazolidine-2,4-dione
CID 60602072

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (CID 75671649) is 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc3c(c2)CCC3)NC(=O)N(CC(O)COc2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SWBVTZWBLSDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O4/c1-22(15-6-5-13-3-2-4-14(13)9-15)20(28)26(21(29)25-22)11-17(27)12-30-19-8-7-16(23)10-18(19)24/h5-10,17,27H,2-4,11-12H2,1H3,(H,25,29).
What are the key properties of 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione?
3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 449.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 75671649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).