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

C30H30ClFN4O — CID 15006467

IUPAC1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1c1ccccc1
InChIInChI=1S/C30H30ClFN4O/c31-23-6-11-29-27(20-23)28(21-36(29)26-9-7-24(32)8-10-26)22-12-14-33(15-13-22)16-17-34-18-19-35(30(34)37)25-4-2-1-3-5-25/h1-11,20-22H,12-19H2
InChIKeyZKSRUFVYVYEELI-UHFFFAOYSA-N
MW517.05 g/mol
LogP6.54
Rot. Bonds6

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

1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one (PubChem CID 15006467) has the molecular formula C30H30ClFN4O and a molecular weight of 517.05 g/mol. Its IUPAC name is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one
PubChem CID15006467
Molecular FormulaC30H30ClFN4O
Molecular Weight517.05 g/mol
Exact Mass516.21
IUPAC Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one
SMILESO=C1N(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1c1ccccc1
InChIInChI=1S/C30H30ClFN4O/c31-23-6-11-29-27(20-23)28(21-36(29)26-9-7-24(32)8-10-26)22-12-14-33(15-13-22)16-17-34-18-19-35(30(34)37)25-4-2-1-3-5-25/h1-11,20-22H,12-19H2
InChIKeyZKSRUFVYVYEELI-UHFFFAOYSA-N
XLogP6.54
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.05
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]-3-phenylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one (CID 15006467) is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one is O=C1N(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)CCN1c1ccccc1.
What is the InChIKey of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one?
The InChIKey is ZKSRUFVYVYEELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClFN4O/c31-23-6-11-29-27(20-23)28(21-36(29)26-9-7-24(32)8-10-26)22-12-14-33(15-13-22)16-17-34-18-19-35(30(34)37)25-4-2-1-3-5-25/h1-11,20-22H,12-19H2.
What are the key properties of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one?
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-phenylimidazolidin-2-one has a molecular weight of 517.05 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 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]-3-phenylimidazolidin-2-one is sourced from PubChem (CID 15006467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).