N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide

C14H20F3N3O — CID 136529777

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(C(F)(F)F)CC1)NCCc1ncc[nH]1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)11-3-1-10(2-4-11)9-13(21)20-6-5-12-18-7-8-19-12/h7-8,10-11H,1-6,9H2,(H,18,19)(H,20,21)
InChIKeyURYVVWXKICRLLO-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 136529777) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID136529777
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CCC(C(F)(F)F)CC1)NCCc1ncc[nH]1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)11-3-1-10(2-4-11)9-13(21)20-6-5-12-18-7-8-19-12/h7-8,10-11H,1-6,9H2,(H,18,19)(H,20,21)
InChIKeyURYVVWXKICRLLO-UHFFFAOYSA-N
XLogP2.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 136529777) is N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CC1CCC(C(F)(F)F)CC1)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is URYVVWXKICRLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)11-3-1-10(2-4-11)9-13(21)20-6-5-12-18-7-8-19-12/h7-8,10-11H,1-6,9H2,(H,18,19)(H,20,21).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 136529777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).