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

C25H28ClFN4O — CID 15006460

IUPAC1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H28ClFN4O/c26-19-2-7-24-22(16-19)23(17-31(24)21-5-3-20(27)4-6-21)18-8-13-29(14-9-18)11-1-12-30-15-10-28-25(30)32/h2-7,16-18H,1,8-15H2,(H,28,32)
InChIKeyCXAQDXCWRCDSDO-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.02
Rot. Bonds6

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

1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one (PubChem CID 15006460) has the molecular formula C25H28ClFN4O and a molecular weight of 454.98 g/mol. Its IUPAC name is 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one
PubChem CID15006460
Molecular FormulaC25H28ClFN4O
Molecular Weight454.98 g/mol
Exact Mass454.19
IUPAC Name1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H28ClFN4O/c26-19-2-7-24-22(16-19)23(17-31(24)21-5-3-20(27)4-6-21)18-8-13-29(14-9-18)11-1-12-30-15-10-28-25(30)32/h2-7,16-18H,1,8-15H2,(H,28,32)
InChIKeyCXAQDXCWRCDSDO-UHFFFAOYSA-N
XLogP5.02
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one (CID 15006460) is 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one is O=C1NCCN1CCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one?
The InChIKey is CXAQDXCWRCDSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN4O/c26-19-2-7-24-22(16-19)23(17-31(24)21-5-3-20(27)4-6-21)18-8-13-29(14-9-18)11-1-12-30-15-10-28-25(30)32/h2-7,16-18H,1,8-15H2,(H,28,32).
What are the key properties of 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one?
1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one has a molecular weight of 454.98 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]propyl]imidazolidin-2-one is sourced from PubChem (CID 15006460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).