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

C25H27FN8O — CID 11113505

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nn[nH]n4)cc23)CC1
InChIInChI=1S/C25H27FN8O/c26-19-2-4-20(5-3-19)34-16-22(21-15-18(1-6-23(21)34)24-28-30-31-29-24)17-7-10-32(11-8-17)13-14-33-12-9-27-25(33)35/h1-6,15-17H,7-14H2,(H,27,35)(H,28,29,30,31)
InChIKeyWSVJLBOEXBDQNC-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.15
Rot. Bonds6

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

1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 11113505) has the molecular formula C25H27FN8O and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID11113505
Molecular FormulaC25H27FN8O
Molecular Weight474.54 g/mol
Exact Mass474.23
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nn[nH]n4)cc23)CC1
InChIInChI=1S/C25H27FN8O/c26-19-2-4-20(5-3-19)34-16-22(21-15-18(1-6-23(21)34)24-28-30-31-29-24)17-7-10-32(11-8-17)13-14-33-12-9-27-25(33)35/h1-6,15-17H,7-14H2,(H,27,35)(H,28,29,30,31)
InChIKeyWSVJLBOEXBDQNC-UHFFFAOYSA-N
XLogP3.15
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 11113505) is 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nn[nH]n4)cc23)CC1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is WSVJLBOEXBDQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O/c26-19-2-4-20(5-3-19)34-16-22(21-15-18(1-6-23(21)34)24-28-30-31-29-24)17-7-10-32(11-8-17)13-14-33-12-9-27-25(33)35/h1-6,15-17H,7-14H2,(H,27,35)(H,28,29,30,31).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 474.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-(2H-tetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11113505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).