3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide

C26H19FN6O — CID 69235451

IUPAC3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2nccc(-c3ccc(-n4ccnc4)cc3)n2)c1)c1cccc(F)c1
InChIInChI=1S/C26H19FN6O/c27-20-4-1-3-19(15-20)25(34)30-21-5-2-6-22(16-21)31-26-29-12-11-24(32-26)18-7-9-23(10-8-18)33-14-13-28-17-33/h1-17H,(H,30,34)(H,29,31,32)
InChIKeySLZCRLFEXDDYBV-UHFFFAOYSA-N
MW450.48 g/mol
LogP5.46
Rot. Bonds6

About 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide

3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide (PubChem CID 69235451) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide
PubChem CID69235451
Molecular FormulaC26H19FN6O
Molecular Weight450.48 g/mol
Exact Mass450.16
IUPAC Name3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2nccc(-c3ccc(-n4ccnc4)cc3)n2)c1)c1cccc(F)c1
InChIInChI=1S/C26H19FN6O/c27-20-4-1-3-19(15-20)25(34)30-21-5-2-6-22(16-21)31-26-29-12-11-24(32-26)18-7-9-23(10-8-18)33-14-13-28-17-33/h1-17H,(H,30,34)(H,29,31,32)
InChIKeySLZCRLFEXDDYBV-UHFFFAOYSA-N
XLogP5.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide
CID 11633725
N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
CID 11518257
4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454
2,3,6-trifluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529276
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-(3-fluorophenyl)-3-(4-pyridin-3-ylanilino)benzamide
CID 164589782
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-bromobenzamide
CID 24877441
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60535989
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502
3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 67476740
N-[2,4-bis(3-methylanilino)pyrimidin-5-yl]-3-fluorobenzamide
CID 15990271

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide (CID 69235451) is 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide is O=C(Nc1cccc(Nc2nccc(-c3ccc(-n4ccnc4)cc3)n2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
The InChIKey is SLZCRLFEXDDYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c27-20-4-1-3-19(15-20)25(34)30-21-5-2-6-22(16-21)31-26-29-12-11-24(32-26)18-7-9-23(10-8-18)33-14-13-28-17-33/h1-17H,(H,30,34)(H,29,31,32).
What are the key properties of 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide has a molecular weight of 450.48 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 69235451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).