3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide

C25H26F3N3O3 — CID 66791241

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H26F3N3O3/c1-17-14-31(16-30-17)21-7-6-18(12-22(21)33-2)23(32)29-15-24(8-10-34-11-9-24)19-4-3-5-20(13-19)25(26,27)28/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,29,32)
InChIKeyMBTZNVWWQHWFLX-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.69
Rot. Bonds6

About 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide

3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide (PubChem CID 66791241) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
PubChem CID66791241
Molecular FormulaC25H26F3N3O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H26F3N3O3/c1-17-14-31(16-30-17)21-7-6-18(12-22(21)33-2)23(32)29-15-24(8-10-34-11-9-24)19-4-3-5-20(13-19)25(26,27)28/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,29,32)
InChIKeyMBTZNVWWQHWFLX-UHFFFAOYSA-N
XLogP4.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide (CID 66791241) is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide is COc1cc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide?
The InChIKey is MBTZNVWWQHWFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c1-17-14-31(16-30-17)21-7-6-18(12-22(21)33-2)23(32)29-15-24(8-10-34-11-9-24)19-4-3-5-20(13-19)25(26,27)28/h3-7,12-14,16H,8-11,15H2,1-2H3,(H,29,32).
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide?
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide has a molecular weight of 473.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 66791241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).