1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

C21H26N2O4 — CID 2663212

IUPAC1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O
InChIInChI=1S/C21H26N2O4/c1-14(2)12-22-19(25)20(26)23(21(22)27)13-18(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyFNWBPGWBPXYHMI-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.36
Rot. Bonds6

About 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 2663212) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID2663212
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O
InChIInChI=1S/C21H26N2O4/c1-14(2)12-22-19(25)20(26)23(21(22)27)13-18(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyFNWBPGWBPXYHMI-UHFFFAOYSA-N
XLogP3.36
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 2663212) is 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O.
What is the InChIKey of 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is FNWBPGWBPXYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)12-22-19(25)20(26)23(21(22)27)13-18(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3.
What are the key properties of 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 370.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 2663212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).