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

C28H34ClFN4O — CID 15006463

IUPAC1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=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)
InChIKeyARCMZUUOXKBRHF-UHFFFAOYSA-N
MW497.06 g/mol
LogP6.19
Rot. Bonds9

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 Name1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one
PubChem CID15006463
Molecular FormulaC28H34ClFN4O
Molecular Weight497.06 g/mol
Exact Mass496.24
IUPAC Name1-[6-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]hexyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=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)
InChIKeyARCMZUUOXKBRHF-UHFFFAOYSA-N
XLogP6.19
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.06
LogP ≤ 56.19
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-[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).