4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide

C25H20F3N3O2 — CID 135331363

IUPAC4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide
SMILESCc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C25H20F3N3O2/c1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31/h3-15H,1-2H3,(H,30,32)
InChIKeyZPPJQUHJUSSFKP-UHFFFAOYSA-N
MW451.45 g/mol
LogP6.55
Rot. Bonds5

About 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide (PubChem CID 135331363) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide
PubChem CID135331363
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide
SMILESCc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C25H20F3N3O2/c1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31/h3-15H,1-2H3,(H,30,32)
InChIKeyZPPJQUHJUSSFKP-UHFFFAOYSA-N
XLogP6.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide?
The IUPAC name of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide (CID 135331363) is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide is Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide?
The InChIKey is ZPPJQUHJUSSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-16-8-9-18(10-23(16)33-22-6-4-3-5-7-22)24(32)30-20-11-19(25(26,27)28)12-21(13-20)31-14-17(2)29-15-31/h3-15H,1-2H3,(H,30,32).
What are the key properties of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide?
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide has a molecular weight of 451.45 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 135331363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).