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

C28H29FN6O — CID 11145333

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1
InChIInChI=1S/C28H29FN6O/c29-22-3-5-23(6-4-22)35-19-25(24-18-21(2-7-26(24)35)27-30-10-1-11-31-27)20-8-13-33(14-9-20)16-17-34-15-12-32-28(34)36/h1-7,10-11,18-20H,8-9,12-17H2,(H,32,36)
InChIKeyTZOUCQOJXCRYRE-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.43
Rot. Bonds6

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

1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 11145333) has the molecular formula C28H29FN6O and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID11145333
Molecular FormulaC28H29FN6O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1
InChIInChI=1S/C28H29FN6O/c29-22-3-5-23(6-4-22)35-19-25(24-18-21(2-7-26(24)35)27-30-10-1-11-31-27)20-8-13-33(14-9-20)16-17-34-15-12-32-28(34)36/h1-7,10-11,18-20H,8-9,12-17H2,(H,32,36)
InChIKeyTZOUCQOJXCRYRE-UHFFFAOYSA-N
XLogP4.43
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 11145333) is 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncccn4)cc23)CC1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is TZOUCQOJXCRYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O/c29-22-3-5-23(6-4-22)35-19-25(24-18-21(2-7-26(24)35)27-30-10-1-11-31-27)20-8-13-33(14-9-20)16-17-34-15-12-32-28(34)36/h1-7,10-11,18-20H,8-9,12-17H2,(H,32,36).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 484.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11145333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).