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

C27H32ClFN4O — CID 15006462

IUPAC1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=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)
InChIKeyAFKBRSCMNVQDCS-UHFFFAOYSA-N
MW483.03 g/mol
LogP5.80
Rot. Bonds8

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 Name1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one
PubChem CID15006462
Molecular FormulaC27H32ClFN4O
Molecular Weight483.03 g/mol
Exact Mass482.22
IUPAC Name1-[5-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]pentyl]imidazolidin-2-one
SMILESO=C1NCCN1CCCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=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)
InChIKeyAFKBRSCMNVQDCS-UHFFFAOYSA-N
XLogP5.80
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.80
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-[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).