2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one

C22H16F4N4O — CID 146844541

IUPAC2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2cncc(C(F)(F)F)c2)(c2ccc(F)c(-c3ccccc3)c2)N=C1N
InChIInChI=1S/C22H16F4N4O/c1-30-19(31)21(29-20(30)27,15-9-16(12-28-11-15)22(24,25)26)14-7-8-18(23)17(10-14)13-5-3-2-4-6-13/h2-12H,1H3,(H2,27,29)
InChIKeySGUNGHAQLXYWBR-UHFFFAOYSA-N
MW428.39 g/mol
LogP3.94
Rot. Bonds3

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

2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (PubChem CID 146844541) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
PubChem CID146844541
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC Name2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESCN1C(=O)C(c2cncc(C(F)(F)F)c2)(c2ccc(F)c(-c3ccccc3)c2)N=C1N
InChIInChI=1S/C22H16F4N4O/c1-30-19(31)21(29-20(30)27,15-9-16(12-28-11-15)22(24,25)26)14-7-8-18(23)17(10-14)13-5-3-2-4-6-13/h2-12H,1H3,(H2,27,29)
InChIKeySGUNGHAQLXYWBR-UHFFFAOYSA-N
XLogP3.94
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
CID 146622765
2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 148855236
2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
CID 146625382
(5S)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
CID 45488106
2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one
CID 146622761
2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-one
CID 25117905
3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
CID 147679261
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 46830239
[3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate
CID 24991739
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
(5R)-2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 59834568

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (CID 146844541) is 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is CN1C(=O)C(c2cncc(C(F)(F)F)c2)(c2ccc(F)c(-c3ccccc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The InChIKey is SGUNGHAQLXYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-30-19(31)21(29-20(30)27,15-9-16(12-28-11-15)22(24,25)26)14-7-8-18(23)17(10-14)13-5-3-2-4-6-13/h2-12H,1H3,(H2,27,29).
What are the key properties of 2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one has a molecular weight of 428.39 g/mol, XLogP of 3.94, 3 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-phenylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is sourced from PubChem (CID 146844541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).