N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline

C17H16F3N3 — CID 75398519

IUPACN-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1
InChIInChI=1S/C17H16F3N3/c1-22(13-6-4-3-5-7-13)11-16-21-14-10-12(17(18,19)20)8-9-15(14)23(16)2/h3-10H,11H2,1-2H3
InChIKeyIWRAODDVXGFRRT-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.23
Rot. Bonds3

About N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline

N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline (PubChem CID 75398519) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
PubChem CID75398519
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC NameN-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
SMILESCN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1
InChIInChI=1S/C17H16F3N3/c1-22(13-6-4-3-5-7-13)11-16-21-14-10-12(17(18,19)20)8-9-15(14)23(16)2/h3-10H,11H2,1-2H3
InChIKeyIWRAODDVXGFRRT-UHFFFAOYSA-N
XLogP4.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline 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-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline (CID 75398519) is N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline is CN(Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1.
What is the InChIKey of N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
The InChIKey is IWRAODDVXGFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-22(13-6-4-3-5-7-13)11-16-21-14-10-12(17(18,19)20)8-9-15(14)23(16)2/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline?
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline has a molecular weight of 319.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline is sourced from PubChem (CID 75398519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).