N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide

C23H21F4N3O2 — CID 15987553

IUPACN-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C23H21F4N3O2/c24-17-13-11-16(12-14-17)20(31)29-22(23(25,26)27)21(32)30(18-9-5-2-6-10-18)19(28-22)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,29,31)
InChIKeyRQXPFMXLAXWGFG-UHFFFAOYSA-N
MW447.43 g/mol
LogP4.44
Rot. Bonds4

About N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide

N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide (PubChem CID 15987553) has the molecular formula C23H21F4N3O2 and a molecular weight of 447.43 g/mol. Its IUPAC name is N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide
PubChem CID15987553
Molecular FormulaC23H21F4N3O2
Molecular Weight447.43 g/mol
Exact Mass447.16
IUPAC NameN-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C23H21F4N3O2/c24-17-13-11-16(12-14-17)20(31)29-22(23(25,26)27)21(32)30(18-9-5-2-6-10-18)19(28-22)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,29,31)
InChIKeyRQXPFMXLAXWGFG-UHFFFAOYSA-N
XLogP4.44
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide (CID 15987553) is N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
The InChIKey is RQXPFMXLAXWGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O2/c24-17-13-11-16(12-14-17)20(31)29-22(23(25,26)27)21(32)30(18-9-5-2-6-10-18)19(28-22)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,29,31).
What are the key properties of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide has a molecular weight of 447.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 15987553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).