3-imidazol-1-yl-5-(trifluoromethyl)benzamide

C11H8F3N3O — CID 143662292

IUPAC3-imidazol-1-yl-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(-n2ccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-3-7(10(15)18)4-9(5-8)17-2-1-16-6-17/h1-6H,(H2,15,18)
InChIKeySRTWZZRHHYXJFP-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.99
Rot. Bonds2

About 3-imidazol-1-yl-5-(trifluoromethyl)benzamide

3-imidazol-1-yl-5-(trifluoromethyl)benzamide (PubChem CID 143662292) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 3-imidazol-1-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-5-(trifluoromethyl)benzamide
PubChem CID143662292
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name3-imidazol-1-yl-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(-n2ccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)8-3-7(10(15)18)4-9(5-8)17-2-1-16-6-17/h1-6H,(H2,15,18)
InChIKeySRTWZZRHHYXJFP-UHFFFAOYSA-N
XLogP1.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-imidazol-1-yl-5-(trifluoromethyl)benzamide (CID 143662292) is 3-imidazol-1-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-imidazol-1-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-imidazol-1-yl-5-(trifluoromethyl)benzamide is NC(=O)c1cc(-n2ccnc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-imidazol-1-yl-5-(trifluoromethyl)benzamide?
The InChIKey is SRTWZZRHHYXJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)8-3-7(10(15)18)4-9(5-8)17-2-1-16-6-17/h1-6H,(H2,15,18).
What are the key properties of 3-imidazol-1-yl-5-(trifluoromethyl)benzamide?
3-imidazol-1-yl-5-(trifluoromethyl)benzamide has a molecular weight of 255.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 143662292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).