3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione

C21H27FN2O3 — CID 44614073

IUPAC3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)C(CC(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H27FN2O3/c1-21(2,3)24-19(26)17(13-18(25)14-9-11-15(22)12-10-14)23(20(24)27)16-7-5-4-6-8-16/h9-12,16-17H,4-8,13H2,1-3H3
InChIKeyFUVWEZONTCSVAK-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.16
Rot. Bonds4

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

3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 44614073) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID44614073
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC(C)(C)N1C(=O)C(CC(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H27FN2O3/c1-21(2,3)24-19(26)17(13-18(25)14-9-11-15(22)12-10-14)23(20(24)27)16-7-5-4-6-8-16/h9-12,16-17H,4-8,13H2,1-3H3
InChIKeyFUVWEZONTCSVAK-UHFFFAOYSA-N
XLogP4.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.16
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

2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-(3-cyclopentyl-2,5-dioxo-1-phenylimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 17118476
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
CID 97032911
2-[(4S)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284608
2-[(4R)-3-cyclopentyl-1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 41284607
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopentan-1-one
CID 97032971
1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione
CID 34604510
1-cyclopentyl-3-[3-(4-fluorophenyl)-3-oxopropyl]imidazolidine-2,4-dione
CID 167776034
4-tert-butyl-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclohexan-1-one
CID 83290485
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 1440826
tert-butyl 2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 103724029

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione (CID 44614073) is 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione is CC(C)(C)N1C(=O)C(CC(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is FUVWEZONTCSVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-21(2,3)24-19(26)17(13-18(25)14-9-11-15(22)12-10-14)23(20(24)27)16-7-5-4-6-8-16/h9-12,16-17H,4-8,13H2,1-3H3.
What are the key properties of 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione?
3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 374.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclohexyl-5-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 44614073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).