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

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

Related Compounds

N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 11548734
2-amino-4-cyclohexyl-1-(3,5-difluorobenzyl)-4-phenyl-1H-imidazol-5(4H)-one
CID 16050834
2-amino-1-benzyl-4-cyclohexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051038
2-amino-4-cyclohexyl-1-hexyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16051040
2-Amino-3-cyclohexyl-5,5-diphenylimidazol-4-one
CID 44530523
2-Amino-3-pentyl-5,5-diphenylimidazol-4-one
CID 44530658
2-Amino-5,5-diphenyl-3-(2-phenylbutyl)imidazol-4-one
CID 44530662
2-Amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one
CID 44530243
2-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)-N-(2-methylpropyl)acetamide
CID 44530795
2-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenylacetamide;hydrochloride
CID 49860442
2-Amino-5-(3-fluorophenyl)-3-methyl-5-phenylimidazol-4-one
CID 70683157
2-Amino-3-butyl-5,5-diphenylimidazol-4-one
CID 44537035

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).