1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one

C26H30ClFN4O — CID 15006461

IUPAC1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C26H30ClFN4O/c27-20-3-8-25-23(17-20)24(18-32(25)22-6-4-21(28)5-7-22)19-9-14-30(15-10-19)12-1-2-13-31-16-11-29-26(31)33/h3-8,17-19H,1-2,9-16H2,(H,29,33)
InChIKeyLILXYDLYNDJABW-UHFFFAOYSA-N
MW469.00 g/mol
LogP5.41
Rot. Bonds7

About 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one

1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one (PubChem CID 15006461) has the molecular formula C26H30ClFN4O and a molecular weight of 469.00 g/mol. Its IUPAC name is 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one
PubChem CID15006461
Molecular FormulaC26H30ClFN4O
Molecular Weight469.00 g/mol
Exact Mass468.21
IUPAC Name1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C26H30ClFN4O/c27-20-3-8-25-23(17-20)24(18-32(25)22-6-4-21(28)5-7-22)19-9-14-30(15-10-19)12-1-2-13-31-16-11-29-26(31)33/h3-8,17-19H,1-2,9-16H2,(H,29,33)
InChIKeyLILXYDLYNDJABW-UHFFFAOYSA-N
XLogP5.41
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one (CID 15006461) is 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one is O=C1NCCN1CCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one?
The InChIKey is LILXYDLYNDJABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN4O/c27-20-3-8-25-23(17-20)24(18-32(25)22-6-4-21(28)5-7-22)19-9-14-30(15-10-19)12-1-2-13-31-16-11-29-26(31)33/h3-8,17-19H,1-2,9-16H2,(H,29,33).
What are the key properties of 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one?
1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one has a molecular weight of 469.00 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]butyl]imidazolidin-2-one is sourced from PubChem (CID 15006461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).