3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

C18H18N2O4 — CID 51259022

IUPAC3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)c(C)c1
InChIInChI=1S/C18H18N2O4/c1-11-6-7-13(12(2)9-11)14(21)10-20-16(22)18(3,19-17(20)23)15-5-4-8-24-15/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyFHSAWHYNKHKOOI-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.55
Rot. Bonds4

About 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 51259022) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID51259022
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)c(C)c1
InChIInChI=1S/C18H18N2O4/c1-11-6-7-13(12(2)9-11)14(21)10-20-16(22)18(3,19-17(20)23)15-5-4-8-24-15/h4-9H,10H2,1-3H3,(H,19,23)
InChIKeyFHSAWHYNKHKOOI-UHFFFAOYSA-N
XLogP2.55
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 122149444
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
5-(furan-2-yl)-5-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 24520101
(5R)-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 27110056
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7595242
tert-butyl 2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 51259018
(5R)-5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 9451712
N-(5-fluoro-2-methylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18098998
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24520074
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18100149
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 16583784

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione (CID 51259022) is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is Cc1ccc(C(=O)CN2C(=O)NC(C)(c3ccco3)C2=O)c(C)c1.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is FHSAWHYNKHKOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-6-7-13(12(2)9-11)14(21)10-20-16(22)18(3,19-17(20)23)15-5-4-8-24-15/h4-9H,10H2,1-3H3,(H,19,23).
What are the key properties of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione?
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 326.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51259022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).