3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide

C16H24F3N3O — CID 71984627

IUPAC3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(C)c1nccn1CCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H24F3N3O/c1-11(2)15-20-8-10-22(15)9-7-14(23)21-13-6-4-3-5-12(13)16(17,18)19/h8,10-13H,3-7,9H2,1-2H3,(H,21,23)
InChIKeySJZFTVRPSZAKPR-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.63
Rot. Bonds5

About 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide

3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 71984627) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID71984627
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC Name3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(C)c1nccn1CCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H24F3N3O/c1-11(2)15-20-8-10-22(15)9-7-14(23)21-13-6-4-3-5-12(13)16(17,18)19/h8,10-13H,3-7,9H2,1-2H3,(H,21,23)
InChIKeySJZFTVRPSZAKPR-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (CID 71984627) is 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide is CC(C)c1nccn1CCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is SJZFTVRPSZAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-11(2)15-20-8-10-22(15)9-7-14(23)21-13-6-4-3-5-12(13)16(17,18)19/h8,10-13H,3-7,9H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 331.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylimidazol-1-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 71984627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).