3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one

C35H33F3N4O — CID 142917696

IUPAC3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one
SMILESCc1cc(F)ccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2ccccn2)CC1
InChIInChI=1S/C35H33F3N4O/c1-24-23-30(38)14-15-31(24)25-16-21-41(22-17-25)19-4-20-42-33(32-5-2-3-18-39-32)40-35(34(42)43,26-6-10-28(36)11-7-26)27-8-12-29(37)13-9-27/h2-3,5-15,18,23,25H,4,16-17,19-22H2,1H3
InChIKeyNSHMMEJDAQHOGG-UHFFFAOYSA-N
MW582.67 g/mol
LogP6.61
Rot. Bonds8

About 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one

3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one (PubChem CID 142917696) has the molecular formula C35H33F3N4O and a molecular weight of 582.67 g/mol. Its IUPAC name is 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one
PubChem CID142917696
Molecular FormulaC35H33F3N4O
Molecular Weight582.67 g/mol
Exact Mass582.26
IUPAC Name3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one
SMILESCc1cc(F)ccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2ccccn2)CC1
InChIInChI=1S/C35H33F3N4O/c1-24-23-30(38)14-15-31(24)25-16-21-41(22-17-25)19-4-20-42-33(32-5-2-3-18-39-32)40-35(34(42)43,26-6-10-28(36)11-7-26)27-8-12-29(37)13-9-27/h2-3,5-15,18,23,25H,4,16-17,19-22H2,1H3
InChIKeyNSHMMEJDAQHOGG-UHFFFAOYSA-N
XLogP6.61
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.67
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-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 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one?
The IUPAC name of 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one (CID 142917696) is 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one is Cc1cc(F)ccc1C1CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2ccccn2)CC1.
What is the InChIKey of 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one?
The InChIKey is NSHMMEJDAQHOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N4O/c1-24-23-30(38)14-15-31(24)25-16-21-41(22-17-25)19-4-20-42-33(32-5-2-3-18-39-32)40-35(34(42)43,26-6-10-28(36)11-7-26)27-8-12-29(37)13-9-27/h2-3,5-15,18,23,25H,4,16-17,19-22H2,1H3.
What are the key properties of 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one?
3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one has a molecular weight of 582.67 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-pyridin-2-ylimidazol-4-one is sourced from PubChem (CID 142917696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).