1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione

C17H18N2O4 — CID 34603406

IUPAC1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c20-14(12-7-3-1-4-8-12)11-18-15(21)16(22)19(17(18)23)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyFBHSEXZGSWOWEK-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.99
Rot. Bonds4

About 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione

1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione (PubChem CID 34603406) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
PubChem CID34603406
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C17H18N2O4/c20-14(12-7-3-1-4-8-12)11-18-15(21)16(22)19(17(18)23)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyFBHSEXZGSWOWEK-UHFFFAOYSA-N
XLogP1.99
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.99
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

1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1,3,8-triaza-spiro[4.5]decan-4-one
CID 44365308
3-Phenacyl-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710901
3-[2-(4-Ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4790937
6-Benzoyl-1-(cyclopent-3-en-1-ylmethyl)-5-ethyl-pyrimidine-2,4-dione
CID 483488
8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,3-dimethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10783864
4-Imidazolidinone, 1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-, (2S)-
CID 688128
4-Imidazolidinone, 1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-, (2R)-
CID 688129
1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]ethane-1,2-dione
CID 10882999
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
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 2997886

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione (CID 34603406) is 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione is O=C(CN1C(=O)C(=O)N(C2CCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione?
The InChIKey is FBHSEXZGSWOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-14(12-7-3-1-4-8-12)11-18-15(21)16(22)19(17(18)23)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione?
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione has a molecular weight of 314.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione is sourced from PubChem (CID 34603406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).