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

C24H17F4N3O2 — CID 2962171

IUPACN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C24H17F4N3O2/c25-19-13-11-18(12-14-19)21(32)30-23(24(26,27)28)22(33)31(15-16-7-3-1-4-8-16)20(29-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,30,32)
InChIKeyPYQVRSUKCOVDSL-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.30
Rot. Bonds5

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

N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide (PubChem CID 2962171) has the molecular formula C24H17F4N3O2 and a molecular weight of 455.41 g/mol. Its IUPAC name is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide
PubChem CID2962171
Molecular FormulaC24H17F4N3O2
Molecular Weight455.41 g/mol
Exact Mass455.13
IUPAC NameN-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C24H17F4N3O2/c25-19-13-11-18(12-14-19)21(32)30-23(24(26,27)28)22(33)31(15-16-7-3-1-4-8-16)20(29-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,30,32)
InChIKeyPYQVRSUKCOVDSL-UHFFFAOYSA-N
XLogP4.30
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide (CID 2962171) is N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
The InChIKey is PYQVRSUKCOVDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2/c25-19-13-11-18(12-14-19)21(32)30-23(24(26,27)28)22(33)31(15-16-7-3-1-4-8-16)20(29-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,30,32).
What are the key properties of N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide?
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide has a molecular weight of 455.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 2962171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).