(5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one

C22H17F3N4O2 — CID 52948153

IUPAC(5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-7-9-18(10-8-16)31-22(23,24)25)17-6-2-4-14(12-17)15-5-3-11-27-13-15/h2-13H,1H3,(H2,26,28)/t21-/m1/s1
InChIKeyGJPKWGPOGSMNOD-OAQYLSRUSA-N
MW426.40 g/mol
LogP3.68
Rot. Bonds4

About (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one

(5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one (PubChem CID 52948153) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
PubChem CID52948153
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name(5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3)c2)N=C1N
InChIInChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-7-9-18(10-8-16)31-22(23,24)25)17-6-2-4-14(12-17)15-5-3-11-27-13-15/h2-13H,1H3,(H2,26,28)/t21-/m1/s1
InChIKeyGJPKWGPOGSMNOD-OAQYLSRUSA-N
XLogP3.68
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one (CID 52948153) is (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one is CN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3)c2)N=C1N.
What is the InChIKey of (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The InChIKey is GJPKWGPOGSMNOD-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-7-9-18(10-8-16)31-22(23,24)25)17-6-2-4-14(12-17)15-5-3-11-27-13-15/h2-13H,1H3,(H2,26,28)/t21-/m1/s1.
What are the key properties of (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
(5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one has a molecular weight of 426.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one is sourced from PubChem (CID 52948153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).