2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide

C17H11F4N3O2 — CID 579556

IUPAC2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O)c1ccccc1F
InChIInChI=1S/C17H11F4N3O2/c18-12-9-5-4-8-11(12)14(25)24-16(17(19,20)21)15(26)22-13(23-16)10-6-2-1-3-7-10/h1-9H,(H,24,25)(H,22,23,26)
InChIKeyXQYVOLNWZPSTGZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.39
Rot. Bonds3

About 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide

2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (PubChem CID 579556) has the molecular formula C17H11F4N3O2 and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
PubChem CID579556
Molecular FormulaC17H11F4N3O2
Molecular Weight365.29 g/mol
Exact Mass365.08
IUPAC Name2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O)c1ccccc1F
InChIInChI=1S/C17H11F4N3O2/c18-12-9-5-4-8-11(12)14(25)24-16(17(19,20)21)15(26)22-13(23-16)10-6-2-1-3-7-10/h1-9H,(H,24,25)(H,22,23,26)
InChIKeyXQYVOLNWZPSTGZ-UHFFFAOYSA-N
XLogP2.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (CID 579556) is 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The InChIKey is XQYVOLNWZPSTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2/c18-12-9-5-4-8-11(12)14(25)24-16(17(19,20)21)15(26)22-13(23-16)10-6-2-1-3-7-10/h1-9H,(H,24,25)(H,22,23,26).
What are the key properties of 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide has a molecular weight of 365.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 579556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).