2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline

C11H10F3N3 — CID 3714452

IUPAC2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
SMILESCc1nccn1-c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H10F3N3/c1-7-16-4-5-17(7)10-3-2-8(6-9(10)15)11(12,13)14/h2-6H,15H2,1H3
InChIKeyLXUHLROZWSBJEL-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.78
Rot. Bonds1

About 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline

2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline (PubChem CID 3714452) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
PubChem CID3714452
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
SMILESCc1nccn1-c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H10F3N3/c1-7-16-4-5-17(7)10-3-2-8(6-9(10)15)11(12,13)14/h2-6H,15H2,1H3
InChIKeyLXUHLROZWSBJEL-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Trim
CID 1359
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CID 12002825
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
3-(1H-Imidazol-1-ylmethyl)aniline
CID 6481821
1-(4-Aminobenzyl)-1H-imidazole
CID 1265319
1-(naphthalen-2-yl)-1H-imidazole
CID 23644748
Benzonitrile, p-imidazol-1-yl-
CID 135744
1-(4-Trifluoromethylphenyl)imidazole
CID 141198
2-(1H-imidazol-1-yl)aniline
CID 320166
1-(2-(1H-imidazol-1-yl)phenyl)methanamine
CID 3161671
1-(m-Tolyl)imidazole
CID 520197
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline (CID 3714452) is 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline is Cc1nccn1-c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline?
The InChIKey is LXUHLROZWSBJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-7-16-4-5-17(7)10-3-2-8(6-9(10)15)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline?
2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline has a molecular weight of 241.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 3714452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).