2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide

C26H32ClFN4O2 — CID 50744100

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCc1ccc(CN2CCC(CNC(=O)CN3CCN(Cc4ccc(F)cc4Cl)C3=O)CC2)cc1
InChIInChI=1S/C26H32ClFN4O2/c1-19-2-4-21(5-3-19)16-30-10-8-20(9-11-30)15-29-25(33)18-32-13-12-31(26(32)34)17-22-6-7-23(28)14-24(22)27/h2-7,14,20H,8-13,15-18H2,1H3,(H,29,33)
InChIKeyZTWUJHGVKLOOCZ-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.05
Rot. Bonds8

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 50744100) has the molecular formula C26H32ClFN4O2 and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID50744100
Molecular FormulaC26H32ClFN4O2
Molecular Weight487.02 g/mol
Exact Mass486.22
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESCc1ccc(CN2CCC(CNC(=O)CN3CCN(Cc4ccc(F)cc4Cl)C3=O)CC2)cc1
InChIInChI=1S/C26H32ClFN4O2/c1-19-2-4-21(5-3-19)16-30-10-8-20(9-11-30)15-29-25(33)18-32-13-12-31(26(32)34)17-22-6-7-23(28)14-24(22)27/h2-7,14,20H,8-13,15-18H2,1H3,(H,29,33)
InChIKeyZTWUJHGVKLOOCZ-UHFFFAOYSA-N
XLogP4.05
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 50744100) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide is Cc1ccc(CN2CCC(CNC(=O)CN3CCN(Cc4ccc(F)cc4Cl)C3=O)CC2)cc1.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is ZTWUJHGVKLOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClFN4O2/c1-19-2-4-21(5-3-19)16-30-10-8-20(9-11-30)15-29-25(33)18-32-13-12-31(26(32)34)17-22-6-7-23(28)14-24(22)27/h2-7,14,20H,8-13,15-18H2,1H3,(H,29,33).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 50744100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).