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

C21H15F4N5O2 — CID 45488110

IUPAC2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2F)N=C1N
InChIInChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-5-7-14(8-6-13)32-21(23,24)25)16-4-2-3-15(17(16)22)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)
InChIKeyGYXAUJZSDKKZRQ-UHFFFAOYSA-N
MW445.38 g/mol
LogP3.21
Rot. Bonds4

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

2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one (PubChem CID 45488110) has the molecular formula C21H15F4N5O2 and a molecular weight of 445.38 g/mol. Its IUPAC name is 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
PubChem CID45488110
Molecular FormulaC21H15F4N5O2
Molecular Weight445.38 g/mol
Exact Mass445.12
IUPAC Name2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2F)N=C1N
InChIInChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-5-7-14(8-6-13)32-21(23,24)25)16-4-2-3-15(17(16)22)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29)
InChIKeyGYXAUJZSDKKZRQ-UHFFFAOYSA-N
XLogP3.21
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
CID 45488106
2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 161223146
2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-one
CID 25117905
[3-[2-amino-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] 2,3-dihydro-1H-indene-5-sulfonate
CID 87747753
[3-[3-[2-amino-1-methyl-5-oxo-4-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonate
CID 152762993
2-amino-5-[3-[3-bromo-5-(trifluoromethoxy)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one
CID 59388140
3-[2-[2-amino-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-chlorothiophene-2-sulfonic acid
CID 87746871
2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
CID 59386861
[3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate
CID 24991739
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
[4-[2-amino-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] 3,5-dimethyl-1,2-oxazole-4-sulfonate
CID 87747605

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one (CID 45488110) is 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one is CN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2F)N=C1N.
What is the InChIKey of 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The InChIKey is GYXAUJZSDKKZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O2/c1-30-18(31)20(29-19(30)26,13-5-7-14(8-6-13)32-21(23,24)25)16-4-2-3-15(17(16)22)12-9-27-11-28-10-12/h2-11H,1H3,(H2,26,29).
What are the key properties of 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one has a molecular weight of 445.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one is sourced from PubChem (CID 45488110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).