2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide

C34H29F3N4O2 — CID 142917722

IUPAC2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1ccccc1)NN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C34H29F3N4O2/c35-28-12-6-23(7-13-28)24-18-20-40(21-19-24)39-31(42)22-41-32(25-4-2-1-3-5-25)38-34(33(41)43,26-8-14-29(36)15-9-26)27-10-16-30(37)17-11-27/h1-17,24H,18-22H2,(H,39,42)
InChIKeyIODCMMPPQWAZLA-UHFFFAOYSA-N
MW582.63 g/mol
LogP5.55
Rot. Bonds7

About 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide

2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide (PubChem CID 142917722) has the molecular formula C34H29F3N4O2 and a molecular weight of 582.63 g/mol. Its IUPAC name is 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
PubChem CID142917722
Molecular FormulaC34H29F3N4O2
Molecular Weight582.63 g/mol
Exact Mass582.22
IUPAC Name2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1ccccc1)NN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C34H29F3N4O2/c35-28-12-6-23(7-13-28)24-18-20-40(21-19-24)39-31(42)22-41-32(25-4-2-1-3-5-25)38-34(33(41)43,26-8-14-29(36)15-9-26)27-10-16-30(37)17-11-27/h1-17,24H,18-22H2,(H,39,42)
InChIKeyIODCMMPPQWAZLA-UHFFFAOYSA-N
XLogP5.55
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.63
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide (CID 142917722) is 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide is O=C(CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1ccccc1)NN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The InChIKey is IODCMMPPQWAZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F3N4O2/c35-28-12-6-23(7-13-28)24-18-20-40(21-19-24)39-31(42)22-41-32(25-4-2-1-3-5-25)38-34(33(41)43,26-8-14-29(36)15-9-26)27-10-16-30(37)17-11-27/h1-17,24H,18-22H2,(H,39,42).
What are the key properties of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide has a molecular weight of 582.63 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 142917722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).