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

C28H32F4N4O — CID 19375684

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(C(F)(F)F)cc34)CC2)C1=O
InChIInChI=1S/C28H32F4N4O/c1-19(2)35-16-15-34(27(35)37)14-13-33-11-9-20(10-12-33)25-18-36(23-6-4-22(29)5-7-23)26-8-3-21(17-24(25)26)28(30,31)32/h3-8,17-20H,9-16H2,1-2H3
InChIKeyRDXSGFJYMIMFFF-UHFFFAOYSA-N
MW516.58 g/mol
LogP6.11
Rot. Bonds6

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

1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 19375684) has the molecular formula C28H32F4N4O and a molecular weight of 516.58 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID19375684
Molecular FormulaC28H32F4N4O
Molecular Weight516.58 g/mol
Exact Mass516.25
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(C(F)(F)F)cc34)CC2)C1=O
InChIInChI=1S/C28H32F4N4O/c1-19(2)35-16-15-34(27(35)37)14-13-33-11-9-20(10-12-33)25-18-36(23-6-4-22(29)5-7-23)26-8-3-21(17-24(25)26)28(30,31)32/h3-8,17-20H,9-16H2,1-2H3
InChIKeyRDXSGFJYMIMFFF-UHFFFAOYSA-N
XLogP6.11
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 19375684) is 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(C(F)(F)F)cc34)CC2)C1=O.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is RDXSGFJYMIMFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F4N4O/c1-19(2)35-16-15-34(27(35)37)14-13-33-11-9-20(10-12-33)25-18-36(23-6-4-22(29)5-7-23)26-8-3-21(17-24(25)26)28(30,31)32/h3-8,17-20H,9-16H2,1-2H3.
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 516.58 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 19375684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).