N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline

C12H12F3N3 — CID 66119312

IUPACN-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCn1cncc1CNc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-18-8-16-6-9(18)7-17-11-5-3-2-4-10(11)12(13,14)15/h2-6,8,17H,7H2,1H3
InChIKeyLUSAZOGWEOODND-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.05
Rot. Bonds3

About N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline

N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 66119312) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID66119312
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCn1cncc1CNc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3N3/c1-18-8-16-6-9(18)7-17-11-5-3-2-4-10(11)12(13,14)15/h2-6,8,17H,7H2,1H3
InChIKeyLUSAZOGWEOODND-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117080
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66117075
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451
N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 55110167
4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine
CID 83166533
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119110043
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzoic acid
CID 66116637
5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117863
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline (CID 66119312) is N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline is Cn1cncc1CNc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is LUSAZOGWEOODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-18-8-16-6-9(18)7-17-11-5-3-2-4-10(11)12(13,14)15/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 255.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 66119312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).