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

C28H32F4N4O — CID 57064489

IUPAC1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O
InChIInChI=1S/C28H32F4N4O/c1-19(2)35-16-15-34(27(35)37)14-13-33-11-9-23(10-12-33)36-18-25(20-3-6-22(29)7-4-20)24-17-21(28(30,31)32)5-8-26(24)36/h3-8,17-19,23H,9-16H2,1-2H3
InChIKeyGSVUCPPFPBHAOI-UHFFFAOYSA-N
MW516.58 g/mol
LogP6.25
Rot. Bonds6

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

1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 57064489) has the molecular formula C28H32F4N4O and a molecular weight of 516.58 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID57064489
Molecular FormulaC28H32F4N4O
Molecular Weight516.58 g/mol
Exact Mass516.25
IUPAC Name1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O
InChIInChI=1S/C28H32F4N4O/c1-19(2)35-16-15-34(27(35)37)14-13-33-11-9-23(10-12-33)36-18-25(20-3-6-22(29)7-4-20)24-17-21(28(30,31)32)5-8-26(24)36/h3-8,17-19,23H,9-16H2,1-2H3
InChIKeyGSVUCPPFPBHAOI-UHFFFAOYSA-N
XLogP6.25
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 ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 57064489) is 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN2CCC(n3cc(-c4ccc(F)cc4)c4cc(C(F)(F)F)ccc43)CC2)C1=O.
What is the InChIKey of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is GSVUCPPFPBHAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F4N4O/c1-19(2)35-16-15-34(27(35)37)14-13-33-11-9-23(10-12-33)36-18-25(20-3-6-22(29)7-4-20)24-17-21(28(30,31)32)5-8-26(24)36/h3-8,17-19,23H,9-16H2,1-2H3.
What are the key properties of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 516.58 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 57064489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).