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

C27H32ClFN4O — CID 15006462

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

1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one (PubChem CID 15006462) has the molecular formula C27H32ClFN4O and a molecular weight of 483.03 g/mol. Its IUPAC name is 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one
• PubChem CID: 15006462
• Molecular Formula: C27H32ClFN4O
• Molecular Weight: 483.03 g/mol
• Exact Mass: 482.22
• IUPAC Name: 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one
• SMILES: O=C1NCCN1CCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
• InChI: InChI=1S/C27H32ClFN4O/c28-21-4-9-26-24(18-21)25(19-33(26)23-7-5-22(29)6-8-23)20-10-15-31(16-11-20)13-2-1-3-14-32-17-12-30-27(32)34/h4-9,18-20H,1-3,10-17H2,(H,30,34)
• InChIKey: AFKBRSCMNVQDCS-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.03
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one?

The IUPAC name of 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one (CID 15006462) is 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one.

What is the SMILES notation for 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one?

The canonical SMILES for 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one is O=C1NCCN1CCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.

What is the InChIKey of 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one?

The InChIKey is AFKBRSCMNVQDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClFN4O/c28-21-4-9-26-24(18-21)25(19-33(26)23-7-5-22(29)6-8-23)20-10-15-31(16-11-20)13-2-1-3-14-32-17-12-30-27(32)34/h4-9,18-20H,1-3,10-17H2,(H,30,34).

What are the key properties of 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one?

1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one has a molecular weight of 483.03 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one is sourced from PubChem (CID 15006462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).