3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one

C22H19ClF3N3O3 — CID 134788102

IUPAC3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C22H19ClF3N3O3/c23-16-5-1-15(2-6-16)20(30)28-11-9-17(10-12-28)29-13-19(27-21(29)31)14-3-7-18(8-4-14)32-22(24,25)26/h1-8,13,17H,9-12H2,(H,27,31)
InChIKeyVYQBZDRLOMKCDE-UHFFFAOYSA-N
MW465.86 g/mol
LogP4.87
Rot. Bonds4

About 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one

3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one (PubChem CID 134788102) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one
PubChem CID134788102
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)[nH]c2=O)CC1
InChIInChI=1S/C22H19ClF3N3O3/c23-16-5-1-15(2-6-16)20(30)28-11-9-17(10-12-28)29-13-19(27-21(29)31)14-3-7-18(8-4-14)32-22(24,25)26/h1-8,13,17H,9-12H2,(H,27,31)
InChIKeyVYQBZDRLOMKCDE-UHFFFAOYSA-N
XLogP4.87
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one (CID 134788102) is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one is O=C(c1ccc(Cl)cc1)N1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)[nH]c2=O)CC1.
What is the InChIKey of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one?
The InChIKey is VYQBZDRLOMKCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c23-16-5-1-15(2-6-16)20(30)28-11-9-17(10-12-28)29-13-19(27-21(29)31)14-3-7-18(8-4-14)32-22(24,25)26/h1-8,13,17H,9-12H2,(H,27,31).
What are the key properties of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one?
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one has a molecular weight of 465.86 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 134788102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).