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

C20H18F3N3O2 — CID 66791090

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18F3N3O2/c1-13-11-26(12-25-13)17-7-6-15(9-18(17)28-2)19(27)24-10-14-4-3-5-16(8-14)20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,24,27)
InChIKeyNKZYHNDTZFSDJC-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.14
Rot. Bonds5

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

3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 66791090) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID66791090
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18F3N3O2/c1-13-11-26(12-25-13)17-7-6-15(9-18(17)28-2)19(27)24-10-14-4-3-5-16(8-14)20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,24,27)
InChIKeyNKZYHNDTZFSDJC-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 66791090) is 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is NKZYHNDTZFSDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-13-11-26(12-25-13)17-7-6-15(9-18(17)28-2)19(27)24-10-14-4-3-5-16(8-14)20(21,22)23/h3-9,11-12H,10H2,1-2H3,(H,24,27).
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 389.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 66791090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).