1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C25H29FN4O2 — CID 15006459

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCOc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C25H29FN4O2/c1-32-21-6-7-24-22(16-21)23(17-30(24)20-4-2-19(26)3-5-20)18-8-11-28(12-9-18)14-15-29-13-10-27-25(29)31/h2-7,16-18H,8-15H2,1H3,(H,27,31)
InChIKeyKTOKSMAKXHBMJM-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.98
Rot. Bonds6

About 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 15006459) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID15006459
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCOc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C25H29FN4O2/c1-32-21-6-7-24-22(16-21)23(17-30(24)20-4-2-19(26)3-5-20)18-8-11-28(12-9-18)14-15-29-13-10-27-25(29)31/h2-7,16-18H,8-15H2,1H3,(H,27,31)
InChIKeyKTOKSMAKXHBMJM-UHFFFAOYSA-N
XLogP3.98
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 15006459) is 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is COc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is KTOKSMAKXHBMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-32-21-6-7-24-22(16-21)23(17-30(24)20-4-2-19(26)3-5-20)18-8-11-28(12-9-18)14-15-29-13-10-27-25(29)31/h2-7,16-18H,8-15H2,1H3,(H,27,31).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 436.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-methoxyindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 15006459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).