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

C22H17F3N4O2 — CID 15951486

IUPAC2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N
InChIInChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28)
InChIKeyJAKDICIOTSABEG-UHFFFAOYSA-N
MW426.40 g/mol
LogP3.68
Rot. Bonds4

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

2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one (PubChem CID 15951486) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one
PubChem CID15951486
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N
InChIInChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28)
InChIKeyJAKDICIOTSABEG-UHFFFAOYSA-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 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one (CID 15951486) is 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one is CN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one?
The InChIKey is JAKDICIOTSABEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28).
What are the key properties of 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one?
2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]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 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one is sourced from PubChem (CID 15951486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).