2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide

C12H10F3N3O — CID 115668718

IUPAC2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ncc[nH]1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H10F3N3O/c13-7-5-8(14)11(9(15)6-7)12(19)18-2-1-10-16-3-4-17-10/h3-6H,1-2H2,(H,16,17)(H,18,19)
InChIKeyUJGCWBSSSWJSHA-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.80
Rot. Bonds4

About 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide

2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide (PubChem CID 115668718) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
PubChem CID115668718
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1ncc[nH]1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H10F3N3O/c13-7-5-8(14)11(9(15)6-7)12(19)18-2-1-10-16-3-4-17-10/h3-6H,1-2H2,(H,16,17)(H,18,19)
InChIKeyUJGCWBSSSWJSHA-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
2-chloro-5-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 114034294
N-[2-(1H-imidazol-2-yl)ethyl]-4,5,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 122564999
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115620280
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115668455
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
2,4,6-trifluoro-N-propylbenzamide
CID 65100176

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide (CID 115668718) is 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide is O=C(NCCc1ncc[nH]1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
The InChIKey is UJGCWBSSSWJSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-7-5-8(14)11(9(15)6-7)12(19)18-2-1-10-16-3-4-17-10/h3-6H,1-2H2,(H,16,17)(H,18,19).
What are the key properties of 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide?
2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide has a molecular weight of 269.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 115668718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).