2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one

C22H16ClF3N4O — CID 153495918

IUPAC2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3ccccc3F)c2)(c2ccnc(C(F)F)c2)N=C1N
InChIInChI=1S/C22H16ClF3N4O/c1-30-20(31)22(29-21(30)27,13-6-7-28-18(11-13)19(25)26)14-8-12(9-15(23)10-14)16-4-2-3-5-17(16)24/h2-11,19H,1H3,(H2,27,29)
InChIKeySKEAOJJGAJCQSQ-UHFFFAOYSA-N
MW444.84 g/mol
LogP4.51
Rot. Bonds4

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

2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (PubChem CID 153495918) has the molecular formula C22H16ClF3N4O and a molecular weight of 444.84 g/mol. Its IUPAC name is 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
PubChem CID153495918
Molecular FormulaC22H16ClF3N4O
Molecular Weight444.84 g/mol
Exact Mass444.10
IUPAC Name2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(Cl)cc(-c3ccccc3F)c2)(c2ccnc(C(F)F)c2)N=C1N
InChIInChI=1S/C22H16ClF3N4O/c1-30-20(31)22(29-21(30)27,13-6-7-28-18(11-13)19(25)26)14-8-12(9-15(23)10-14)16-4-2-3-5-17(16)24/h2-11,19H,1H3,(H2,27,29)
InChIKeySKEAOJJGAJCQSQ-UHFFFAOYSA-N
XLogP4.51
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622433
2-amino-5-[3-chloro-5-(1H-pyrazol-5-yl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146625308
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-(difluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1H-pyrazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 146622439
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
CID 153495924
3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
CID 153495964
2-amino-5-[3-chloro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(2-methyl-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyrazin-2-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyridazin-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-chlorophenyl]pyridine-3-carbonitrile
CID 158837546
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
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 46830239
2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
CID 153495952

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one (CID 153495918) is 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(Cl)cc(-c3ccccc3F)c2)(c2ccnc(C(F)F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is SKEAOJJGAJCQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O/c1-30-20(31)22(29-21(30)27,13-6-7-28-18(11-13)19(25)26)14-8-12(9-15(23)10-14)16-4-2-3-5-17(16)24/h2-11,19H,1H3,(H2,27,29).
What are the key properties of 2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 444.84 g/mol, XLogP of 4.51, 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-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 153495918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).