2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one

C20H15F3N6O — CID 137394439

IUPAC2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(C(F)(F)F)cn2)N=C1N
InChIInChI=1S/C20H15F3N6O/c1-29-17(30)19(28-18(29)24,16-6-5-15(10-27-16)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13/h2-11H,1H3,(H2,24,28)
InChIKeyOHECRFLXHQQAEN-UHFFFAOYSA-N
MW412.38 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one

2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one (PubChem CID 137394439) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
PubChem CID137394439
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(C(F)(F)F)cn2)N=C1N
InChIInChI=1S/C20H15F3N6O/c1-29-17(30)19(28-18(29)24,16-6-5-15(10-27-16)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13/h2-11H,1H3,(H2,24,28)
InChIKeyOHECRFLXHQQAEN-UHFFFAOYSA-N
XLogP2.59
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one (CID 137394439) is 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(C(F)(F)F)cn2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
The InChIKey is OHECRFLXHQQAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c1-29-17(30)19(28-18(29)24,16-6-5-15(10-27-16)20(21,22)23)14-4-2-3-12(7-14)13-8-25-11-26-9-13/h2-11H,1H3,(H2,24,28).
What are the key properties of 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?
2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one has a molecular weight of 412.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(3-pyrimidin-5-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one is sourced from PubChem (CID 137394439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).