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

C18H18F2N2O5 — CID 51250426

IUPAC5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CC(O)COCc2ccco2)C1=O
InChIInChI=1S/C18H18F2N2O5/c1-18(11-4-5-14(19)15(20)7-11)16(24)22(17(25)21-18)8-12(23)9-26-10-13-3-2-6-27-13/h2-7,12,23H,8-10H2,1H3,(H,21,25)
InChIKeyZKXQDVQUKAAGDE-UHFFFAOYSA-N
MW380.35 g/mol
LogP1.90
Rot. Bonds7

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

5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 51250426) has the molecular formula C18H18F2N2O5 and a molecular weight of 380.35 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
PubChem CID51250426
Molecular FormulaC18H18F2N2O5
Molecular Weight380.35 g/mol
Exact Mass380.12
IUPAC Name5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)c(F)c2)NC(=O)N(CC(O)COCc2ccco2)C1=O
InChIInChI=1S/C18H18F2N2O5/c1-18(11-4-5-14(19)15(20)7-11)16(24)22(17(25)21-18)8-12(23)9-26-10-13-3-2-6-27-13/h2-7,12,23H,8-10H2,1H3,(H,21,25)
InChIKeyZKXQDVQUKAAGDE-UHFFFAOYSA-N
XLogP1.90
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 51.90
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

5-(4-chlorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 51222955
(5S)-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 31571010
3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223013
2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26009625
(5S)-3-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51963939
5-(3,4-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529191
(5S)-5-(3,4-difluorophenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 92799825
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 31580066
(5S)-3-[(2R)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385593
(5S)-3-[(2S)-2-(2,5-difluorophenyl)-2-hydroxyethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 94385595
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione (CID 51250426) is 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)c(F)c2)NC(=O)N(CC(O)COCc2ccco2)C1=O.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZKXQDVQUKAAGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O5/c1-18(11-4-5-14(19)15(20)7-11)16(24)22(17(25)21-18)8-12(23)9-26-10-13-3-2-6-27-13/h2-7,12,23H,8-10H2,1H3,(H,21,25).
What are the key properties of 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione?
5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 380.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51250426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).