N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide

C16H17F3N4O2 — CID 56521672

IUPACN-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H17F3N4O2/c1-22(10-13-20-7-8-23(13)11-16(17,18)19)14(24)9-21-15(25)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,21,25)
InChIKeySMURXMXISXVKOU-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.83
Rot. Bonds6

About N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide

N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide (PubChem CID 56521672) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide
PubChem CID56521672
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H17F3N4O2/c1-22(10-13-20-7-8-23(13)11-16(17,18)19)14(24)9-21-15(25)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,21,25)
InChIKeySMURXMXISXVKOU-UHFFFAOYSA-N
XLogP1.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide (CID 56521672) is N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide is CN(Cc1nccn1CC(F)(F)F)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is SMURXMXISXVKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-22(10-13-20-7-8-23(13)11-16(17,18)19)14(24)9-21-15(25)12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,21,25).
What are the key properties of N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide?
N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 354.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 56521672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).