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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Related Compounds

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N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
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(E)-N-biphenyl-3-ylmethyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acrylamide
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(2Z)-4-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethylmorpholin-3-one
CID 16738853
(3E,6S,9aR)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one
CID 24781472
(6Z)-1-ethyl-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[1,2-a]imidazol-5-one
CID 25186150
(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
CID 25187263
2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one
CID 25225345
(5Z)-2-amino-3-[(4-fluorophenyl)methyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazol-4-one
CID 25255222
(5Z)-2-amino-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazol-4-one
CID 25255427
(5Z)-2-amino-3-[(1S)-1-(4-fluorophenyl)-2-hydroxyethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]imidazol-4-one
CID 25255724

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).