2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide

C14H9F2N5O — CID 121112607

IUPAC2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1ccc(F)cc1F
InChIInChI=1S/C14H9F2N5O/c15-9-1-2-11(12(16)5-9)13(22)20-10-6-18-14(19-7-10)21-4-3-17-8-21/h1-8H,(H,20,22)
InChIKeyPWBOJDSQXHCORC-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.19
Rot. Bonds3

About 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide

2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide (PubChem CID 121112607) has the molecular formula C14H9F2N5O and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
PubChem CID121112607
Molecular FormulaC14H9F2N5O
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC Name2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1ccc(F)cc1F
InChIInChI=1S/C14H9F2N5O/c15-9-1-2-11(12(16)5-9)13(22)20-10-6-18-14(19-7-10)21-4-3-17-8-21/h1-8H,(H,20,22)
InChIKeyPWBOJDSQXHCORC-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
CID 122300777
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
CID 122300937
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
CID 122300920
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
N-(2-imidazol-1-ylpyrimidin-5-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 122300789
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide (CID 121112607) is 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(-n2ccnc2)nc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is PWBOJDSQXHCORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O/c15-9-1-2-11(12(16)5-9)13(22)20-10-6-18-14(19-7-10)21-4-3-17-8-21/h1-8H,(H,20,22).
What are the key properties of 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide?
2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 301.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 121112607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).