5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione

C18H25N3O3 — CID 144688670

IUPAC5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(CC(=O)C2=CNCC=C2)C(=O)C1(C)C1CCCC1
InChIInChI=1S/C18H25N3O3/c1-3-21-17(24)20(12-15(22)13-7-6-10-19-11-13)16(23)18(21,2)14-8-4-5-9-14/h6-7,11,14,19H,3-5,8-10,12H2,1-2H3
InChIKeyGZVKQFCGKANZSP-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.83
Rot. Bonds5

About 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione

5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 144688670) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID144688670
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(CC(=O)C2=CNCC=C2)C(=O)C1(C)C1CCCC1
InChIInChI=1S/C18H25N3O3/c1-3-21-17(24)20(12-15(22)13-7-6-10-19-11-13)16(23)18(21,2)14-8-4-5-9-14/h6-7,11,14,19H,3-5,8-10,12H2,1-2H3
InChIKeyGZVKQFCGKANZSP-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.83
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

3-[2-(1-azaspiro[5.8]tetradecan-3-yl)-2-oxoethyl]-5-cyclopentyl-1-ethyl-5-methylimidazolidine-2,4-dione
CID 123299569
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173
5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione
CID 54072688
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
CID 138510073
5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 90359210
5-cyclohexyl-3-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-1,5-dimethyl-1,3-diazinane-2,4-dione
CID 138510220
ethyl 5-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7618445
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7618955
5-methyl-5-(3-methylcyclohexyl)-3-phenacylimidazolidine-2,4-dione
CID 90358274
5-[(5S)-5-ethylcyclohex-3-en-1-yl]-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 126729139

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione (CID 144688670) is 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione is CCN1C(=O)N(CC(=O)C2=CNCC=C2)C(=O)C1(C)C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is GZVKQFCGKANZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-21-17(24)20(12-15(22)13-7-6-10-19-11-13)16(23)18(21,2)14-8-4-5-9-14/h6-7,11,14,19H,3-5,8-10,12H2,1-2H3.
What are the key properties of 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione?
5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[2-(1,2-dihydropyridin-5-yl)-2-oxoethyl]-1-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 144688670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).