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

C22H16F4N4O — CID 153496056

IUPAC2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(CF)c2)(c2cc(F)c(F)c(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C22H16F4N4O/c1-30-20(31)22(29-21(30)27,12-6-7-28-14(8-12)11-23)13-9-16(19(26)18(25)10-13)15-4-2-3-5-17(15)24/h2-10H,11H2,1H3,(H2,27,29)
InChIKeyWAGSLGYWJQYGLL-UHFFFAOYSA-N
MW428.39 g/mol
LogP3.67
Rot. Bonds4

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

2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (PubChem CID 153496056) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
PubChem CID153496056
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC Name2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(CF)c2)(c2cc(F)c(F)c(-c3ccccc3F)c2)N=C1N
InChIInChI=1S/C22H16F4N4O/c1-30-20(31)22(29-21(30)27,12-6-7-28-14(8-12)11-23)13-9-16(19(26)18(25)10-13)15-4-2-3-5-17(15)24/h2-10H,11H2,1H3,(H2,27,29)
InChIKeyWAGSLGYWJQYGLL-UHFFFAOYSA-N
XLogP3.67
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622446
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-[2-(difluoromethyl)-4-pyridinyl]-5-[3,4-difluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 148643237
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 147704854
2-amino-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
CID 148855236
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496031
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622967
(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-[3,4-difluoro-5-(4-fluorophenyl)phenyl]-5-[4-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
CID 146622522
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622492

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (CID 153496056) is 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2ccnc(CF)c2)(c2cc(F)c(F)c(-c3ccccc3F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is WAGSLGYWJQYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-30-20(31)22(29-21(30)27,12-6-7-28-14(8-12)11-23)13-9-16(19(26)18(25)10-13)15-4-2-3-5-17(15)24/h2-10H,11H2,1H3,(H2,27,29).
What are the key properties of 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 428.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 153496056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).