N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide

C20H19F3N4O2 — CID 40669784

IUPACN-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C20H19F3N4O2/c1-24-18(29)14-9-7-13(8-10-14)11-26(2)17(28)12-27-16-6-4-3-5-15(16)25-19(27)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,29)
InChIKeyWXVWJYBUKCWDBV-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide (PubChem CID 40669784) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
PubChem CID40669784
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C20H19F3N4O2/c1-24-18(29)14-9-7-13(8-10-14)11-26(2)17(28)12-27-16-6-4-3-5-15(16)25-19(27)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,29)
InChIKeyWXVWJYBUKCWDBV-UHFFFAOYSA-N
XLogP3.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38744872
N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
CID 38744100
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38745501
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46607524
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 146125808
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
N-ethyl-N-(2-methylprop-2-enyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 112787939
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27786943

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide (CID 40669784) is N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
The InChIKey is WXVWJYBUKCWDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-24-18(29)14-9-7-13(8-10-14)11-26(2)17(28)12-27-16-6-4-3-5-15(16)25-19(27)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,29).
What are the key properties of N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide has a molecular weight of 404.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 40669784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).