1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one

C28H34ClFN4O — CID 15006463

About 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one

1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one (PubChem CID 15006463) has the molecular formula C28H34ClFN4O and a molecular weight of 497.06 g/mol. Its IUPAC name is 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one
• PubChem CID: 15006463
• Molecular Formula: C28H34ClFN4O
• Molecular Weight: 497.06 g/mol
• Exact Mass: 496.24
• IUPAC Name: 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one
• SMILES: O=C1NCCN1CCCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
• InChI: InChI=1S/C28H34ClFN4O/c29-22-5-10-27-25(19-22)26(20-34(27)24-8-6-23(30)7-9-24)21-11-16-32(17-12-21)14-3-1-2-4-15-33-18-13-31-28(33)35/h5-10,19-21H,1-4,11-18H2,(H,31,35)
• InChIKey: ARCMZUUOXKBRHF-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.06
LogP ≤ 5	6.19
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-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one?

The IUPAC name of 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one (CID 15006463) is 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one.

What is the SMILES notation for 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one?

The canonical SMILES for 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one is O=C1NCCN1CCCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.

What is the InChIKey of 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one?

The InChIKey is ARCMZUUOXKBRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClFN4O/c29-22-5-10-27-25(19-22)26(20-34(27)24-8-6-23(30)7-9-24)21-11-16-32(17-12-21)14-3-1-2-4-15-33-18-13-31-28(33)35/h5-10,19-21H,1-4,11-18H2,(H,31,35).

What are the key properties of 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one?

1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one has a molecular weight of 497.06 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one is sourced from PubChem (CID 15006463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).