2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide

C25H31ClFN5O2 — CID 20851428

IUPAC2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H31ClFN5O2/c26-21-8-6-20(7-9-21)18-31-16-17-32(25(31)34)19-24(33)28-10-3-11-29-12-14-30(15-13-29)23-5-2-1-4-22(23)27/h1-2,4-9H,3,10-19H2,(H,28,33)
InChIKeyMIFDTWGSMQADOR-UHFFFAOYSA-N
MW488.01 g/mol
LogP3.05
Rot. Bonds9

About 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide

2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 20851428) has the molecular formula C25H31ClFN5O2 and a molecular weight of 488.01 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
PubChem CID20851428
Molecular FormulaC25H31ClFN5O2
Molecular Weight488.01 g/mol
Exact Mass487.22
IUPAC Name2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)NCCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H31ClFN5O2/c26-21-8-6-20(7-9-21)18-31-16-17-32(25(31)34)19-24(33)28-10-3-11-29-12-14-30(15-13-29)23-5-2-1-4-22(23)27/h1-2,4-9H,3,10-19H2,(H,28,33)
InChIKeyMIFDTWGSMQADOR-UHFFFAOYSA-N
XLogP3.05
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide (CID 20851428) is 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide is O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)NCCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is MIFDTWGSMQADOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN5O2/c26-21-8-6-20(7-9-21)18-31-16-17-32(25(31)34)19-24(33)28-10-3-11-29-12-14-30(15-13-29)23-5-2-1-4-22(23)27/h1-2,4-9H,3,10-19H2,(H,28,33).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide?
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 488.01 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 20851428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).