5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione

C18H20N2O3 — CID 60619575

IUPAC5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-11-2-4-12(5-3-11)15(21)10-20-16(22)18(13-6-7-13,14-8-9-14)19-17(20)23/h2-5,13-14H,6-10H2,1H3,(H,19,23)
InChIKeyATBRIWFNGXBFCN-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.29
Rot. Bonds5

About 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione

5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 60619575) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID60619575
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-11-2-4-12(5-3-11)15(21)10-20-16(22)18(13-6-7-13,14-8-9-14)19-17(20)23/h2-5,13-14H,6-10H2,1H3,(H,19,23)
InChIKeyATBRIWFNGXBFCN-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-dicyclopropyl-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60619140
5-cyclopropyl-5-ethyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 86815336
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 7178281
3-[2-(1,3-dihydro-2-benzofuran-5-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 131962870
5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60583030
3-[2-(4-bromophenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264317
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
2-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 94813820

Frequently Asked Questions

What is the IUPAC name of 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione (CID 60619575) is 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione is Cc1ccc(C(=O)CN2C(=O)NC(C3CC3)(C3CC3)C2=O)cc1.
What is the InChIKey of 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is ATBRIWFNGXBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-2-4-12(5-3-11)15(21)10-20-16(22)18(13-6-7-13,14-8-9-14)19-17(20)23/h2-5,13-14H,6-10H2,1H3,(H,19,23).
What are the key properties of 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione?
5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 312.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60619575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).