3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one

C26H35N3O2 — CID 138968166

IUPAC3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCc1ccc(N2C(=O)N(c3ccccc3)CC2CON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C26H35N3O2/c1-20-12-14-22(15-13-20)28-23(18-27(24(28)30)21-10-7-6-8-11-21)19-31-29-25(2,3)16-9-17-26(29,4)5/h6-8,10-15,23H,9,16-19H2,1-5H3
InChIKeyXFIWLVRKRLNSJG-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.78
Rot. Bonds5

About 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one

3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (PubChem CID 138968166) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
PubChem CID138968166
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCc1ccc(N2C(=O)N(c3ccccc3)CC2CON2C(C)(C)CCCC2(C)C)cc1
InChIInChI=1S/C26H35N3O2/c1-20-12-14-22(15-13-20)28-23(18-27(24(28)30)21-10-7-6-8-11-21)19-31-29-25(2,3)16-9-17-26(29,4)5/h6-8,10-15,23H,9,16-19H2,1-5H3
InChIKeyXFIWLVRKRLNSJG-UHFFFAOYSA-N
XLogP5.78
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The IUPAC name of 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (CID 138968166) is 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The canonical SMILES for 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is Cc1ccc(N2C(=O)N(c3ccccc3)CC2CON2C(C)(C)CCCC2(C)C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The InChIKey is XFIWLVRKRLNSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-20-12-14-22(15-13-20)28-23(18-27(24(28)30)21-10-7-6-8-11-21)19-31-29-25(2,3)16-9-17-26(29,4)5/h6-8,10-15,23H,9,16-19H2,1-5H3.
What are the key properties of 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one has a molecular weight of 421.59 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 138968166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).