5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one

C22H23F2N3O — CID 10387394

IUPAC5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCNCC1
InChIInChI=1S/C22H23F2N3O/c1-15-26-22(17-2-6-19(23)7-3-17,18-4-8-20(24)9-5-18)21(28)27(15)14-16-10-12-25-13-11-16/h2-9,16,25H,10-14H2,1H3
InChIKeyZUELERWATUQHPW-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.47
Rot. Bonds4

About 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one

5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one (PubChem CID 10387394) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
PubChem CID10387394
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCNCC1
InChIInChI=1S/C22H23F2N3O/c1-15-26-22(17-2-6-19(23)7-3-17,18-4-8-20(24)9-5-18)21(28)27(15)14-16-10-12-25-13-11-16/h2-9,16,25H,10-14H2,1H3
InChIKeyZUELERWATUQHPW-UHFFFAOYSA-N
XLogP3.47
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one (CID 10387394) is 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CC1CCNCC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
The InChIKey is ZUELERWATUQHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-15-26-22(17-2-6-19(23)7-3-17,18-4-8-20(24)9-5-18)21(28)27(15)14-16-10-12-25-13-11-16/h2-9,16,25H,10-14H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one has a molecular weight of 383.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-methyl-3-(piperidin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 10387394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).