N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide

C13H20F3N3O2 — CID 107483373

IUPACN-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC(CC(=O)N(CCO)CC(F)(F)F)n1ccnc1
InChIInChI=1S/C13H20F3N3O2/c1-2-3-11(19-5-4-17-10-19)8-12(21)18(6-7-20)9-13(14,15)16/h4-5,10-11,20H,2-3,6-9H2,1H3
InChIKeyGPTHJYCZNPFHPX-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.00
Rot. Bonds8

About N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide

N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 107483373) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID107483373
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC(CC(=O)N(CCO)CC(F)(F)F)n1ccnc1
InChIInChI=1S/C13H20F3N3O2/c1-2-3-11(19-5-4-17-10-19)8-12(21)18(6-7-20)9-13(14,15)16/h4-5,10-11,20H,2-3,6-9H2,1H3
InChIKeyGPTHJYCZNPFHPX-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide (CID 107483373) is N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide is CCCC(CC(=O)N(CCO)CC(F)(F)F)n1ccnc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is GPTHJYCZNPFHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-2-3-11(19-5-4-17-10-19)8-12(21)18(6-7-20)9-13(14,15)16/h4-5,10-11,20H,2-3,6-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide?
N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 307.32 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 107483373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).