1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

C18H20N2O4 — CID 2508142

IUPAC1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(C)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C18H20N2O4/c1-11-7-8-12(2)14(9-11)15(21)10-19-16(22)17(23)20(18(19)24)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeyLMJDIFKMOWTCRD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.22
Rot. Bonds4

About 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 2508142) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID2508142
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCc1ccc(C)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C18H20N2O4/c1-11-7-8-12(2)14(9-11)15(21)10-19-16(22)17(23)20(18(19)24)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3
InChIKeyLMJDIFKMOWTCRD-UHFFFAOYSA-N
XLogP2.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Indanyl-alpha-pbp
CID 132989234
5-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethyl]-indan-1-one
CID 10359931
5-Bpdi
CID 132989236
3-[2-(4-Ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2450452
3-[2-(2,5-Dimethylphenyl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2578266
1-Benzyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2765715
5-Methyl-3-[1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 4875421
3-[2-(2,4-Dimethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7240778
2-[2-Oxo-2-((S)-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethyl]-6,7,8,9-tetrahydro-benzocyclohepten-5-one
CID 10021967
3-[2-Oxo-2-(2,4,5-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622441
1-(2-Methylpropyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7837478
3-[2-(2,5-Dimethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2643691

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 2508142) is 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is Cc1ccc(C)c(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is LMJDIFKMOWTCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-7-8-12(2)14(9-11)15(21)10-19-16(22)17(23)20(18(19)24)13-5-3-4-6-13/h7-9,13H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 328.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2508142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).