2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one

C22H17F3N4O — CID 148855236

IUPAC2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cncc(CF)c2)(c2ccc(F)c(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C22H17F3N4O/c1-29-20(30)22(28-21(29)26,15-8-13(10-23)11-27-12-15)14-6-7-19(25)17(9-14)16-4-2-3-5-18(16)24/h2-9,11-12H,10H2,1H3,(H2,26,28)
InChIKeyOYFRUKOIAXGLDL-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.53
Rot. Bonds4

About 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one

2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (PubChem CID 148855236) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
PubChem CID148855236
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC Name2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cncc(CF)c2)(c2ccc(F)c(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C22H17F3N4O/c1-29-20(30)22(28-21(29)26,15-8-13(10-23)11-27-12-15)14-6-7-19(25)17(9-14)16-4-2-3-5-18(16)24/h2-9,11-12H,10H2,1H3,(H2,26,28)
InChIKeyOYFRUKOIAXGLDL-UHFFFAOYSA-N
XLogP3.53
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3,4-difluoro-5-pyridazin-3-ylphenyl)-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 146622526
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
CID 146844541
2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153496056
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 59834568
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496004
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-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-one
CID 25117905
3-[3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]propane-1-sulfonic acid
CID 87746366
2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
CID 70867259
(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
CID 45488106
4-[(4R)-2-amino-4-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carboxylic acid
CID 68705282

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (CID 148855236) is 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cncc(CF)c2)(c2ccc(F)c(-c3ccccc3F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is OYFRUKOIAXGLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-29-20(30)22(28-21(29)26,15-8-13(10-23)11-27-12-15)14-6-7-19(25)17(9-14)16-4-2-3-5-18(16)24/h2-9,11-12H,10H2,1H3,(H2,26,28).
What are the key properties of 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 410.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 148855236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).