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

C31H36F2N4O — CID 142917524

IUPAC2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccncc2)CC1
InChIInChI=1S/C31H36F2N4O/c1-3-30(2)35-31(25-5-9-27(32)10-6-25,26-7-11-28(33)12-8-26)29(38)37(30)20-4-19-36-21-15-24(16-22-36)23-13-17-34-18-14-23/h5-14,17-18,24,35H,3-4,15-16,19-22H2,1-2H3
InChIKeyJUJDDKDDTBUJLO-UHFFFAOYSA-N
MW518.65 g/mol
LogP5.43
Rot. Bonds8

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

2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one (PubChem CID 142917524) has the molecular formula C31H36F2N4O and a molecular weight of 518.65 g/mol. Its IUPAC name is 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one
PubChem CID142917524
Molecular FormulaC31H36F2N4O
Molecular Weight518.65 g/mol
Exact Mass518.29
IUPAC Name2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccncc2)CC1
InChIInChI=1S/C31H36F2N4O/c1-3-30(2)35-31(25-5-9-27(32)10-6-25,26-7-11-28(33)12-8-26)29(38)37(30)20-4-19-36-21-15-24(16-22-36)23-13-17-34-18-14-23/h5-14,17-18,24,35H,3-4,15-16,19-22H2,1-2H3
InChIKeyJUJDDKDDTBUJLO-UHFFFAOYSA-N
XLogP5.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one?
The IUPAC name of 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one (CID 142917524) is 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one.
What is the SMILES notation for 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one?
The canonical SMILES for 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one is CCC1(C)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccncc2)CC1.
What is the InChIKey of 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one?
The InChIKey is JUJDDKDDTBUJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F2N4O/c1-3-30(2)35-31(25-5-9-27(32)10-6-25,26-7-11-28(33)12-8-26)29(38)37(30)20-4-19-36-21-15-24(16-22-36)23-13-17-34-18-14-23/h5-14,17-18,24,35H,3-4,15-16,19-22H2,1-2H3.
What are the key properties of 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one?
2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one has a molecular weight of 518.65 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-bis(4-fluorophenyl)-2-methyl-3-[3-(4-pyridin-4-ylpiperidin-1-yl)propyl]imidazolidin-4-one is sourced from PubChem (CID 142917524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).