5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one

C33H31F2N5O — CID 10484551

IUPAC5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one
SMILESO=C1N(CCCN2CCC(c3ccncc3)CC2)C(c2ccccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C33H31F2N5O/c34-28-9-5-26(6-10-28)33(27-7-11-29(35)12-8-27)32(41)40(31(38-33)30-4-1-2-17-37-30)21-3-20-39-22-15-25(16-23-39)24-13-18-36-19-14-24/h1-2,4-14,17-19,25H,3,15-16,20-23H2
InChIKeyGXSDTDLJYYLESF-UHFFFAOYSA-N
MW551.64 g/mol
LogP5.56
Rot. Bonds8

About 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one

5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one (PubChem CID 10484551) has the molecular formula C33H31F2N5O and a molecular weight of 551.64 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one
PubChem CID10484551
Molecular FormulaC33H31F2N5O
Molecular Weight551.64 g/mol
Exact Mass551.25
IUPAC Name5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one
SMILESO=C1N(CCCN2CCC(c3ccncc3)CC2)C(c2ccccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C33H31F2N5O/c34-28-9-5-26(6-10-28)33(27-7-11-29(35)12-8-27)32(41)40(31(38-33)30-4-1-2-17-37-30)21-3-20-39-22-15-25(16-23-39)24-13-18-36-19-14-24/h1-2,4-14,17-19,25H,3,15-16,20-23H2
InChIKeyGXSDTDLJYYLESF-UHFFFAOYSA-N
XLogP5.56
TPSA61.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.64
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one (CID 10484551) is 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one is O=C1N(CCCN2CCC(c3ccncc3)CC2)C(c2ccccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one?
The InChIKey is GXSDTDLJYYLESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N5O/c34-28-9-5-26(6-10-28)33(27-7-11-29(35)12-8-27)32(41)40(31(38-33)30-4-1-2-17-37-30)21-3-20-39-22-15-25(16-23-39)24-13-18-36-19-14-24/h1-2,4-14,17-19,25H,3,15-16,20-23H2.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one has a molecular weight of 551.64 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazol-4-one is sourced from PubChem (CID 10484551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).