1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one

C24H31ClN2O4 — CID 12986486

IUPAC1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one
SMILESCOc1ccc(OCCCOCCCCCN2CCN(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H31ClN2O4/c1-29-22-10-12-23(13-11-22)31-19-5-18-30-17-4-2-3-14-26-15-16-27(24(26)28)21-8-6-20(25)7-9-21/h6-13H,2-5,14-19H2,1H3
InChIKeyGNKHJOUTQWIMOQ-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.25
Rot. Bonds13

About 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one

1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one (PubChem CID 12986486) has the molecular formula C24H31ClN2O4 and a molecular weight of 446.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one
PubChem CID12986486
Molecular FormulaC24H31ClN2O4
Molecular Weight446.98 g/mol
Exact Mass446.20
IUPAC Name1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one
SMILESCOc1ccc(OCCCOCCCCCN2CCN(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H31ClN2O4/c1-29-22-10-12-23(13-11-22)31-19-5-18-30-17-4-2-3-14-26-15-16-27(24(26)28)21-8-6-20(25)7-9-21/h6-13H,2-5,14-19H2,1H3
InChIKeyGNKHJOUTQWIMOQ-UHFFFAOYSA-N
XLogP5.25
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.25
H-Bond Donors ≤ 50
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 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one (CID 12986486) is 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one is COc1ccc(OCCCOCCCCCN2CCN(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one?
The InChIKey is GNKHJOUTQWIMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O4/c1-29-22-10-12-23(13-11-22)31-19-5-18-30-17-4-2-3-14-26-15-16-27(24(26)28)21-8-6-20(25)7-9-21/h6-13H,2-5,14-19H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one?
1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one has a molecular weight of 446.98 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-[3-(4-methoxyphenoxy)propoxy]pentyl]imidazolidin-2-one is sourced from PubChem (CID 12986486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).