1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C24H24ClFN4O2 — CID 21460401

IUPAC1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C(=O)N1
InChIInChI=1S/C24H24ClFN4O2/c25-17-1-6-22-20(13-17)21(14-30(22)19-4-2-18(26)3-5-19)16-7-9-28(10-8-16)11-12-29-15-23(31)27-24(29)32/h1-6,13-14,16H,7-12,15H2,(H,27,31,32)
InChIKeyCNUKABYITTZHKY-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.15
Rot. Bonds5

About 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione

1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 21460401) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID21460401
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C(=O)N1
InChIInChI=1S/C24H24ClFN4O2/c25-17-1-6-22-20(13-17)21(14-30(22)19-4-2-18(26)3-5-19)16-7-9-28(10-8-16)11-12-29-15-23(31)27-24(29)32/h1-6,13-14,16H,7-12,15H2,(H,27,31,32)
InChIKeyCNUKABYITTZHKY-UHFFFAOYSA-N
XLogP4.15
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 21460401) is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C(=O)N1.
What is the InChIKey of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is CNUKABYITTZHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c25-17-1-6-22-20(13-17)21(14-30(22)19-4-2-18(26)3-5-19)16-7-9-28(10-8-16)11-12-29-15-23(31)27-24(29)32/h1-6,13-14,16H,7-12,15H2,(H,27,31,32).
What are the key properties of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 454.93 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 21460401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).