3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile

C23H17F2N5O2 — CID 153495964

IUPAC3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
SMILESCN1C(=O)C(c2ccnc(C(F)F)c2)(c2ccc(O)c(-c3cccc(C#N)c3)c2)N=C1N
InChIInChI=1S/C23H17F2N5O2/c1-30-21(32)23(29-22(30)27,16-7-8-28-18(11-16)20(24)25)15-5-6-19(31)17(10-15)14-4-2-3-13(9-14)12-26/h2-11,20,31H,1H3,(H2,27,29)
InChIKeyKYGBQJMQMWEVPI-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.29
Rot. Bonds4

About 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile

3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile (PubChem CID 153495964) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile.

Molecular Properties

Compound Name3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
PubChem CID153495964
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
SMILESCN1C(=O)C(c2ccnc(C(F)F)c2)(c2ccc(O)c(-c3cccc(C#N)c3)c2)N=C1N
InChIInChI=1S/C23H17F2N5O2/c1-30-21(32)23(29-22(30)27,16-7-8-28-18(11-16)20(24)25)15-5-6-19(31)17(10-15)14-4-2-3-13(9-14)12-26/h2-11,20,31H,1H3,(H2,27,29)
InChIKeyKYGBQJMQMWEVPI-UHFFFAOYSA-N
XLogP3.29
TPSA115.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[2-amino-4-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]benzonitrile
CID 146623015
3-[5-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-2-fluorophenyl]benzonitrile
CID 147679261
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-[3-chloro-5-(2-fluorophenyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153495918
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-[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-[3-[2-amino-1-methyl-5-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]imidazol-4-yl]phenyl]pyridine-4-carbonitrile
CID 25118977
2-amino-5-(3-chloro-5-thiophen-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622433
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 16750245
2-amino-5-[2-(difluoromethyl)-4-pyridinyl]-5-[3-(4-fluorophenyl)-5-methoxyphenyl]-3-methylimidazol-4-one
CID 153495924
1-[4-[2-amino-4-[3-(5-cyano-2-fluorophenyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-methoxyethanesulfonic acid
CID 87747819

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile?
The IUPAC name of 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile (CID 153495964) is 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile.
What is the SMILES notation for 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile?
The canonical SMILES for 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile is CN1C(=O)C(c2ccnc(C(F)F)c2)(c2ccc(O)c(-c3cccc(C#N)c3)c2)N=C1N.
What is the InChIKey of 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile?
The InChIKey is KYGBQJMQMWEVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c1-30-21(32)23(29-22(30)27,16-7-8-28-18(11-16)20(24)25)15-5-6-19(31)17(10-15)14-4-2-3-13(9-14)12-26/h2-11,20,31H,1H3,(H2,27,29).
What are the key properties of 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile?
3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile has a molecular weight of 433.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile is sourced from PubChem (CID 153495964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).