5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione

C18H19ClN2O5 — CID 51222955

IUPAC5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(O)COCc2ccco2)C1=O
InChIInChI=1S/C18H19ClN2O5/c1-18(12-4-6-13(19)7-5-12)16(23)21(17(24)20-18)9-14(22)10-25-11-15-3-2-8-26-15/h2-8,14,22H,9-11H2,1H3,(H,20,24)
InChIKeyMGQYVIXQJCIFCI-UHFFFAOYSA-N
MW378.81 g/mol
LogP2.28
Rot. Bonds7

About 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione

5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 51222955) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
PubChem CID51222955
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2)NC(=O)N(CC(O)COCc2ccco2)C1=O
InChIInChI=1S/C18H19ClN2O5/c1-18(12-4-6-13(19)7-5-12)16(23)21(17(24)20-18)9-14(22)10-25-11-15-3-2-8-26-15/h2-8,14,22H,9-11H2,1H3,(H,20,24)
InChIKeyMGQYVIXQJCIFCI-UHFFFAOYSA-N
XLogP2.28
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 52.28
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

(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 31571010
5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51250426
3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223013
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 2705893
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
(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-(2-hydroxy-2-phenylethyl)-5-methylimidazolidine-2,4-dione
CID 17478863
5-(4-chlorophenyl)-5-ethyl-3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]imidazolidine-2,4-dione
CID 55410125
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 3681676
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47021034
2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 31580066
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (CID 51222955) is 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2)NC(=O)N(CC(O)COCc2ccco2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MGQYVIXQJCIFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-18(12-4-6-13(19)7-5-12)16(23)21(17(24)20-18)9-14(22)10-25-11-15-3-2-8-26-15/h2-8,14,22H,9-11H2,1H3,(H,20,24).
What are the key properties of 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 378.81 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51222955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).