3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

C30H32F2N4O — CID 142917633

IUPAC3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C30H32F2N4O/c1-21-34-30(24-5-9-26(31)10-6-24,25-7-11-27(32)12-8-25)29(37)36(21)18-2-17-35-19-15-23(16-20-35)22-3-13-28(33)14-4-22/h3-14,23H,2,15-20,33H2,1H3
InChIKeySJVHNVBSOLXTMP-UHFFFAOYSA-N
MW502.61 g/mol
LogP5.32
Rot. Bonds7

About 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (PubChem CID 142917633) has the molecular formula C30H32F2N4O and a molecular weight of 502.61 g/mol. Its IUPAC name is 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
PubChem CID142917633
Molecular FormulaC30H32F2N4O
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC Name3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C30H32F2N4O/c1-21-34-30(24-5-9-26(31)10-6-24,25-7-11-27(32)12-8-25)29(37)36(21)18-2-17-35-19-15-23(16-20-35)22-3-13-28(33)14-4-22/h3-14,23H,2,15-20,33H2,1H3
InChIKeySJVHNVBSOLXTMP-UHFFFAOYSA-N
XLogP5.32
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The IUPAC name of 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one (CID 142917633) is 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
The InChIKey is SJVHNVBSOLXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N4O/c1-21-34-30(24-5-9-26(31)10-6-24,25-7-11-27(32)12-8-25)29(37)36(21)18-2-17-35-19-15-23(16-20-35)22-3-13-28(33)14-4-22/h3-14,23H,2,15-20,33H2,1H3.
What are the key properties of 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one?
3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one has a molecular weight of 502.61 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-aminophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 142917633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).