N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline

C11H10F3N3 — CID 62762264

IUPACN-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cnc[nH]1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-4-10(9)16-6-8-5-15-7-17-8/h1-5,7,16H,6H2,(H,15,17)
InChIKeySCQIXCBMESCWFE-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.04
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline

N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 62762264) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID62762264
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cnc[nH]1
InChIInChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-4-10(9)16-6-8-5-15-7-17-8/h1-5,7,16H,6H2,(H,15,17)
InChIKeySCQIXCBMESCWFE-UHFFFAOYSA-N
XLogP3.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-imidazol-5-ylmethyl)-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

2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
N-(1H-imidazol-5-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66479341
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 167113922
N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 55110167
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 59728068
N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide
CID 136563984
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
CID 65439896
3-[2-(1H-imidazol-5-ylmethylamino)phenyl]prop-2-enoic acid;dihydrochloride
CID 67780041

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline (CID 62762264) is N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is SCQIXCBMESCWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-2-4-10(9)16-6-8-5-15-7-17-8/h1-5,7,16H,6H2,(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 241.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62762264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).