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

C15H10F3N5O — CID 121112592

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-3-1-10(2-4-11)13(24)22-12-7-20-14(21-8-12)23-6-5-19-9-23/h1-9H,(H,22,24)
InChIKeyWFMMHVRSOYYINI-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.93
Rot. Bonds3

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

N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 121112592) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID121112592
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N5O/c16-15(17,18)11-3-1-10(2-4-11)13(24)22-12-7-20-14(21-8-12)23-6-5-19-9-23/h1-9H,(H,22,24)
InChIKeyWFMMHVRSOYYINI-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
CID 121112607
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-4-carboxamide
CID 122300937
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-methoxypyridine-3-carboxamide
CID 122300910
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112535
N-(2-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
CID 122300920
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (CID 121112592) is N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1cnc(-n2ccnc2)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WFMMHVRSOYYINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c16-15(17,18)11-3-1-10(2-4-11)13(24)22-12-7-20-14(21-8-12)23-6-5-19-9-23/h1-9H,(H,22,24).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 333.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121112592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).