5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

C19H23FN2O3 — CID 90359173

IUPAC5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2F)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C19H23FN2O3/c1-19(13-8-4-3-5-9-13)17(24)22(18(25)21(19)2)12-16(23)14-10-6-7-11-15(14)20/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyMQADVGADCANGRN-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.24
Rot. Bonds4

About 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione

5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 90359173) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
PubChem CID90359173
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(CC(=O)c2ccccc2F)C(=O)C1(C)C1CCCCC1
InChIInChI=1S/C19H23FN2O3/c1-19(13-8-4-3-5-9-13)17(24)22(18(25)21(19)2)12-16(23)14-10-6-7-11-15(14)20/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyMQADVGADCANGRN-UHFFFAOYSA-N
XLogP3.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
5-cyclohex-3-en-1-yl-1,5-dimethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 90359210
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506746
(5S)-5-(cyclohexylmethyl)-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 126729237
3-[(4Z)-5-amino-3-methylidene-2-oxoocta-4,7-dienyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione
CID 138510073
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
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
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione (CID 90359173) is 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is CN1C(=O)N(CC(=O)c2ccccc2F)C(=O)C1(C)C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MQADVGADCANGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(13-8-4-3-5-9-13)17(24)22(18(25)21(19)2)12-16(23)14-10-6-7-11-15(14)20/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione?
5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 346.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[2-(2-fluorophenyl)-2-oxoethyl]-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 90359173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).