1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C30H39FN4O — CID 10323306

IUPAC1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)c1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C30H39FN4O/c1-21(2)24-5-10-27-28(20-35(29(27)19-24)26-8-6-25(31)7-9-26)23-11-13-32(14-12-23)15-16-33-17-18-34(22(3)4)30(33)36/h5-10,19-23H,11-18H2,1-4H3
InChIKeyKSBIMIXXUPKBLA-UHFFFAOYSA-N
MW490.67 g/mol
LogP6.22
Rot. Bonds7

About 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 10323306) has the molecular formula C30H39FN4O and a molecular weight of 490.67 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID10323306
Molecular FormulaC30H39FN4O
Molecular Weight490.67 g/mol
Exact Mass490.31
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)c1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C30H39FN4O/c1-21(2)24-5-10-27-28(20-35(29(27)19-24)26-8-6-25(31)7-9-26)23-11-13-32(14-12-23)15-16-33-17-18-34(22(3)4)30(33)36/h5-10,19-23H,11-18H2,1-4H3
InChIKeyKSBIMIXXUPKBLA-UHFFFAOYSA-N
XLogP6.22
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.67
LogP ≤ 56.22
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)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 10323306) is 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)c1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is KSBIMIXXUPKBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O/c1-21(2)24-5-10-27-28(20-35(29(27)19-24)26-8-6-25(31)7-9-26)23-11-13-32(14-12-23)15-16-33-17-18-34(22(3)4)30(33)36/h5-10,19-23H,11-18H2,1-4H3.
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 490.67 g/mol, XLogP of 6.22, 7 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)-6-propan-2-ylindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 10323306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).