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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).