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

C27H32ClFN4O — CID 15006465

IUPAC1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C1=O
InChIInChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-8-3-21(28)17-24(25)26/h3-8,17-20H,9-16H2,1-2H3
InChIKeyZGDSCXWBGXHUHE-UHFFFAOYSA-N
MW483.03 g/mol
LogP5.75
Rot. Bonds6

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

1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 15006465) has the molecular formula C27H32ClFN4O and a molecular weight of 483.03 g/mol. Its IUPAC name is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID15006465
Molecular FormulaC27H32ClFN4O
Molecular Weight483.03 g/mol
Exact Mass482.22
IUPAC Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C1=O
InChIInChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-8-3-21(28)17-24(25)26/h3-8,17-20H,9-16H2,1-2H3
InChIKeyZGDSCXWBGXHUHE-UHFFFAOYSA-N
XLogP5.75
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.75
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-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 15006465) is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(Cl)cc34)CC2)C1=O.
What is the InChIKey of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is ZGDSCXWBGXHUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-8-3-21(28)17-24(25)26/h3-8,17-20H,9-16H2,1-2H3.
What are the key properties of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 483.03 g/mol, XLogP of 5.75, 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-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 15006465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).