2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide

C13H12F3N3O — CID 63812006

IUPAC2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide
SMILESCCc1nccn1-c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C13H12F3N3O/c1-2-11-18-5-6-19(11)10-4-3-8(13(14,15)16)7-9(10)12(17)20/h3-7H,2H2,1H3,(H2,17,20)
InChIKeyHOCXDLFJWCRKIH-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide

2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 63812006) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID63812006
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide
SMILESCCc1nccn1-c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C13H12F3N3O/c1-2-11-18-5-6-19(11)10-4-3-8(13(14,15)16)7-9(10)12(17)20/h3-7H,2H2,1H3,(H2,17,20)
InChIKeyHOCXDLFJWCRKIH-UHFFFAOYSA-N
XLogP2.55
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide (CID 63812006) is 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide is CCc1nccn1-c1ccc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is HOCXDLFJWCRKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-11-18-5-6-19(11)10-4-3-8(13(14,15)16)7-9(10)12(17)20/h3-7H,2H2,1H3,(H2,17,20).
What are the key properties of 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide?
2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 283.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 63812006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).