2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide

C14H17F3N4O — CID 126823875

IUPAC2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide
SMILESN#Cc1c(C(F)(F)F)ncn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)13-11(7-18)21(9-19-13)8-12(22)20-10-5-3-1-2-4-6-10/h9-10H,1-6,8H2,(H,20,22)
InChIKeyTYPBGSLULGDLGF-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.61
Rot. Bonds3

About 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide

2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide (PubChem CID 126823875) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide
PubChem CID126823875
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide
SMILESN#Cc1c(C(F)(F)F)ncn1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)13-11(7-18)21(9-19-13)8-12(22)20-10-5-3-1-2-4-6-10/h9-10H,1-6,8H2,(H,20,22)
InChIKeyTYPBGSLULGDLGF-UHFFFAOYSA-N
XLogP2.61
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-(4,5-dicyano-1H-imidazol-1-yl)-1-oxopropan-2-yl)acetamide
CID 154585660
N-[3-(4,5-dicyanoimidazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 86794669
2-(4,5-dicyanoimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 86794691
2-(4,5-dicyanoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112595457
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide
CID 42947739
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 25468662
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 25468663
N-cyclopentyl-N-cyclopropyl-2-(4,5-dicyanoimidazol-1-yl)acetamide
CID 86794629
1-[2-(1,4-Diazepan-1-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 112595151
1-(1-Oxo-1-piperazin-1-ylpropan-2-yl)imidazole-4,5-dicarbonitrile
CID 112595158
1-(2-Oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile
CID 112595168
N-cyclopentyl-2-(4,5-dicyanoimidazol-1-yl)propanamide
CID 112595449

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide (CID 126823875) is 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide is N#Cc1c(C(F)(F)F)ncn1CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide?
The InChIKey is TYPBGSLULGDLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)13-11(7-18)21(9-19-13)8-12(22)20-10-5-3-1-2-4-6-10/h9-10H,1-6,8H2,(H,20,22).
What are the key properties of 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide?
2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide has a molecular weight of 314.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 126823875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).