5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one

C24H31ClN4O2 — CID 70062641

IUPAC5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one
SMILESCOc1cccc(N2CCN(CCCCN3C(=O)NCC3c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C24H31ClN4O2/c1-31-22-9-5-8-21(17-22)28-14-12-27(13-15-28)10-2-3-11-29-23(18-26-24(29)30)19-6-4-7-20(25)16-19/h4-9,16-17,23H,2-3,10-15,18H2,1H3,(H,26,30)
InChIKeySEGLPOSZDGDZCX-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.02
Rot. Bonds8

About 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one

5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one (PubChem CID 70062641) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one
PubChem CID70062641
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one
SMILESCOc1cccc(N2CCN(CCCCN3C(=O)NCC3c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C24H31ClN4O2/c1-31-22-9-5-8-21(17-22)28-14-12-27(13-15-28)10-2-3-11-29-23(18-26-24(29)30)19-6-4-7-20(25)16-19/h4-9,16-17,23H,2-3,10-15,18H2,1H3,(H,26,30)
InChIKeySEGLPOSZDGDZCX-UHFFFAOYSA-N
XLogP4.02
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.02
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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Related Compounds

1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430
(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
6-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)hexan-1-one
CID 10573099
1-(3-chlorophenyl)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,4-dihydroisoquinolin-3-one
CID 10480878
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-4-(3-methoxyphenyl)piperazine
CID 38124942
3-benzyl-1-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]-5,5-dimethylimidazolidine-2,4-dione
CID 90654842
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one (CID 70062641) is 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one is COc1cccc(N2CCN(CCCCN3C(=O)NCC3c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one?
The InChIKey is SEGLPOSZDGDZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-31-22-9-5-8-21(17-22)28-14-12-27(13-15-28)10-2-3-11-29-23(18-26-24(29)30)19-6-4-7-20(25)16-19/h4-9,16-17,23H,2-3,10-15,18H2,1H3,(H,26,30).
What are the key properties of 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one?
5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one has a molecular weight of 442.99 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]imidazolidin-2-one is sourced from PubChem (CID 70062641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).