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

C37H34F5N3O3 — CID 142917400

IUPAC5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCOc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)ccc1O
InChIInChI=1S/C37H34F5N3O3/c1-48-33-23-26(5-16-32(33)46)34-43-36(27-8-12-30(38)13-9-27,28-10-14-31(39)15-11-28)35(47)45(34)20-2-19-44-21-17-25(18-22-44)24-3-6-29(7-4-24)37(40,41)42/h3-16,23,25,46H,2,17-22H2,1H3
InChIKeyPXZWJGZWGYCRRI-UHFFFAOYSA-N
MW663.69 g/mol
LogP7.50
Rot. Bonds9

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

5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (PubChem CID 142917400) has the molecular formula C37H34F5N3O3 and a molecular weight of 663.69 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
PubChem CID142917400
Molecular FormulaC37H34F5N3O3
Molecular Weight663.69 g/mol
Exact Mass663.25
IUPAC Name5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESCOc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)ccc1O
InChIInChI=1S/C37H34F5N3O3/c1-48-33-23-26(5-16-32(33)46)34-43-36(27-8-12-30(38)13-9-27,28-10-14-31(39)15-11-28)35(47)45(34)20-2-19-44-21-17-25(18-22-44)24-3-6-29(7-4-24)37(40,41)42/h3-16,23,25,46H,2,17-22H2,1H3
InChIKeyPXZWJGZWGYCRRI-UHFFFAOYSA-N
XLogP7.50
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.69
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-Dihydroxy-5-methoxyphenyl)-5,5-bis(4-fluorophenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917333
ethane;5-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917500
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917629
5,5-Bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917636
5-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917501

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (CID 142917400) is 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-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-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is COc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2CCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)ccc1O.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The InChIKey is PXZWJGZWGYCRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F5N3O3/c1-48-33-23-26(5-16-32(33)46)34-43-36(27-8-12-30(38)13-9-27,28-10-14-31(39)15-11-28)35(47)45(34)20-2-19-44-21-17-25(18-22-44)24-3-6-29(7-4-24)37(40,41)42/h3-16,23,25,46H,2,17-22H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one has a molecular weight of 663.69 g/mol, XLogP of 7.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-(4-hydroxy-3-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is sourced from PubChem (CID 142917400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).