4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

C20H15FN6O — CID 121073828

IUPAC4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15FN6O/c21-15-3-1-14(2-4-15)20(28)26-17-7-5-16(6-8-17)25-18-11-19(24-12-23-18)27-10-9-22-13-27/h1-13H,(H,26,28)(H,23,24,25)
InChIKeyRFRJLMOZCLPOHM-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.80
Rot. Bonds5

About 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 121073828) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID121073828
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H15FN6O/c21-15-3-1-14(2-4-15)20(28)26-17-7-5-16(6-8-17)25-18-11-19(24-12-23-18)27-10-9-22-13-27/h1-13H,(H,26,28)(H,23,24,25)
InChIKeyRFRJLMOZCLPOHM-UHFFFAOYSA-N
XLogP3.80
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 121073858
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122291297
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122291399
1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride
CID 154828685
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
CID 121074248
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504
2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291339
3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290727
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
2-(4-chlorophenoxy)-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 121073849

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 121073828) is 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is RFRJLMOZCLPOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O/c21-15-3-1-14(2-4-15)20(28)26-17-7-5-16(6-8-17)25-18-11-19(24-12-23-18)27-10-9-22-13-27/h1-13H,(H,26,28)(H,23,24,25).
What are the key properties of 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 374.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 121073828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).