5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione

C19H21ClN2O4S — CID 55410125

IUPAC5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(O)COCc2cccs2)C1=O
InChIInChI=1S/C19H21ClN2O4S/c1-2-19(13-5-7-14(20)8-6-13)17(24)22(18(25)21-19)10-15(23)11-26-12-16-4-3-9-27-16/h3-9,15,23H,2,10-12H2,1H3,(H,21,25)
InChIKeyFKEYHDLVNYVULP-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.14
Rot. Bonds8

About 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione

5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione (PubChem CID 55410125) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione
PubChem CID55410125
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(O)COCc2cccs2)C1=O
InChIInChI=1S/C19H21ClN2O4S/c1-2-19(13-5-7-14(20)8-6-13)17(24)22(18(25)21-19)10-15(23)11-26-12-16-4-3-9-27-16/h3-9,15,23H,2,10-12H2,1H3,(H,21,25)
InChIKeyFKEYHDLVNYVULP-UHFFFAOYSA-N
XLogP3.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.14
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

2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2703115
(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51963939
5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51222955
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7264635
5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148971
(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243258

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione (CID 55410125) is 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione is CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(O)COCc2cccs2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione?
The InChIKey is FKEYHDLVNYVULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-2-19(13-5-7-14(20)8-6-13)17(24)22(18(25)21-19)10-15(23)11-26-12-16-4-3-9-27-16/h3-9,15,23H,2,10-12H2,1H3,(H,21,25).
What are the key properties of 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione?
5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione has a molecular weight of 408.91 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55410125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).