N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide

C25H24F3N3O2 — CID 10151622

IUPACN-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESO=C(CNC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccccc1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)20-8-4-7-19(13-20)21-14-29-23(31-21)17-9-11-18(12-10-17)24(33)30-15-22(32)16-5-2-1-3-6-16/h1-8,13-14,17-18H,9-12,15H2,(H,29,31)(H,30,33)
InChIKeyQKXZTDTUKMDFNE-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.37
Rot. Bonds6

About N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide

N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 10151622) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
PubChem CID10151622
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC NameN-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESO=C(CNC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccccc1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)20-8-4-7-19(13-20)21-14-29-23(31-21)17-9-11-18(12-10-17)24(33)30-15-22(32)16-5-2-1-3-6-16/h1-8,13-14,17-18H,9-12,15H2,(H,29,31)(H,30,33)
InChIKeyQKXZTDTUKMDFNE-UHFFFAOYSA-N
XLogP5.37
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (CID 10151622) is N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is O=C(CNC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1)c1ccccc1.
What is the InChIKey of N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is QKXZTDTUKMDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)20-8-4-7-19(13-20)21-14-29-23(31-21)17-9-11-18(12-10-17)24(33)30-15-22(32)16-5-2-1-3-6-16/h1-8,13-14,17-18H,9-12,15H2,(H,29,31)(H,30,33).
What are the key properties of N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacyl-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 10151622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).