5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one

C34H37F5N4O2 — CID 142917278

IUPAC5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCOCCN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C34H37F5N4O2/c1-41(22-23-45-2)32-40-33(26-8-12-29(35)13-9-26,27-10-14-30(36)15-11-27)31(44)43(32)19-3-18-42-20-16-25(17-21-42)24-4-6-28(7-5-24)34(37,38)39/h4-15,25H,3,16-23H2,1-2H3
InChIKeyZZLLDOMLHKDYPQ-UHFFFAOYSA-N
MW628.69 g/mol
LogP6.27
Rot. Bonds10

About 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one

5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (PubChem CID 142917278) has the molecular formula C34H37F5N4O2 and a molecular weight of 628.69 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
PubChem CID142917278
Molecular FormulaC34H37F5N4O2
Molecular Weight628.69 g/mol
Exact Mass628.28
IUPAC Name5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCOCCN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C34H37F5N4O2/c1-41(22-23-45-2)32-40-33(26-8-12-29(35)13-9-26,27-10-14-30(36)15-11-27)31(44)43(32)19-3-18-42-20-16-25(17-21-42)24-4-6-28(7-5-24)34(37,38)39/h4-15,25H,3,16-23H2,1-2H3
InChIKeyZZLLDOMLHKDYPQ-UHFFFAOYSA-N
XLogP6.27
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.69
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10053788
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-[3-(morpholine-4-carbonyl)-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 10055217
1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 10077496
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3,5-difluorophenyl)phenyl]-5-methylimidazol-4-one
CID 59262321
4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(3-fluorophenyl)methyl]piperidine-1-carboxamide
CID 59262334
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-methylimidazol-4-one
CID 69909045
3-[2-Fluoro-3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 91036518
5,5-Bis(4-fluorophenyl)-3-[3-[4-(4-fluorophenyl)piperidin-1-yl]butyl]-2-methylimidazol-4-one
CID 91109180
5,5-Bis(4-fluorophenyl)-2-morpholin-4-yl-3-[3-[4-(4-propylphenyl)piperidin-1-yl]propyl]imidazol-4-one
CID 142917213
3-[3-(4-Benzylpiperidin-1-yl)propyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 142917248
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917252
3-[3-[4-[3,5-Bis(trifluoromethyl)phenyl]piperidin-1-yl]-2-hydroxypropyl]-5,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-4-one
CID 142917254

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (CID 142917278) is 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is COCCN(C)C1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The InChIKey is ZZLLDOMLHKDYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F5N4O2/c1-41(22-23-45-2)32-40-33(26-8-12-29(35)13-9-26,27-10-14-30(36)15-11-27)31(44)43(32)19-3-18-42-20-16-25(17-21-42)24-4-6-28(7-5-24)34(37,38)39/h4-15,25H,3,16-23H2,1-2H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one has a molecular weight of 628.69 g/mol, XLogP of 6.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is sourced from PubChem (CID 142917278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).