5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione

C18H21N3O3 — CID 118599528

IUPAC5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccnc2)C(=O)C1(C)C1=CCCCC1
InChIInChI=1S/C18H21N3O3/c1-18(14-8-4-3-5-9-14)16(23)21(17(24)20(18)2)12-15(22)13-7-6-10-19-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyDESQVZVTAMIVET-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.42
Rot. Bonds4

About 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione

5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione (PubChem CID 118599528) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione
PubChem CID118599528
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2cccnc2)C(=O)C1(C)C1=CCCCC1
InChIInChI=1S/C18H21N3O3/c1-18(14-8-4-3-5-9-14)16(23)21(17(24)20(18)2)12-15(22)13-7-6-10-19-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyDESQVZVTAMIVET-UHFFFAOYSA-N
XLogP2.42
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

5-(cyclohexen-1-yl)-1-ethyl-5-methyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-5-methyl-1-(2-oxo-2-pyridin-3-ylethyl)-3-propyl-1,3-diazinane-2,4,6-trione;5-(cyclopenten-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-cyclopentyl-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-cyclopentyl-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-cyclopentyl-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;methane
CID 159468684
1,5-dimethyl-5-(3-methylbut-2-enyl)-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione
CID 118599551
5-[(E)-hex-3-en-3-yl]-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione
CID 144688684
2-tert-butylsulfanyl-1-pyridin-3-ylethanone
CID 65133934
1,5-dimethyl-3-phenacyl-5-(2-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 90359148
5-(2-ethoxyphenyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 90358741
2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone
CID 65138190
1,5-dimethyl-5-[(1S,5R)-3-methyl-3-bicyclo[3.3.1]nonanyl]-3-phenacylimidazolidine-2,4-dione
CID 126729135
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
CID 90359173

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione (CID 118599528) is 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2cccnc2)C(=O)C1(C)C1=CCCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
The InChIKey is DESQVZVTAMIVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(14-8-4-3-5-9-14)16(23)21(17(24)20(18)2)12-15(22)13-7-6-10-19-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3.
What are the key properties of 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione?
5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 118599528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).