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

C25H32N4O4 — CID 138968164

IUPAC3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H32N4O4/c1-24(2)15-8-16-25(3,4)29(24)33-18-22-17-26(19-9-6-5-7-10-19)23(30)27(22)20-11-13-21(14-12-20)28(31)32/h5-7,9-14,22H,8,15-18H2,1-4H3
InChIKeyYGHXKYUCHJMBTJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.38
Rot. Bonds6

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

3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (PubChem CID 138968164) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
PubChem CID138968164
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H32N4O4/c1-24(2)15-8-16-25(3,4)29(24)33-18-22-17-26(19-9-6-5-7-10-19)23(30)27(22)20-11-13-21(14-12-20)28(31)32/h5-7,9-14,22H,8,15-18H2,1-4H3
InChIKeyYGHXKYUCHJMBTJ-UHFFFAOYSA-N
XLogP5.38
TPSA79.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The IUPAC name of 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (CID 138968164) is 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.
What is the SMILES notation for 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The canonical SMILES for 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is CC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The InChIKey is YGHXKYUCHJMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-24(2)15-8-16-25(3,4)29(24)33-18-22-17-26(19-9-6-5-7-10-19)23(30)27(22)20-11-13-21(14-12-20)28(31)32/h5-7,9-14,22H,8,15-18H2,1-4H3.
What are the key properties of 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one has a molecular weight of 452.56 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 138968164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).