5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine

C17H15F3N4 — CID 141181695

IUPAC5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccccc2CCn2ccnc2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4/c18-17(19,20)15-9-13(10-23-16(15)21)14-4-2-1-3-12(14)5-7-24-8-6-22-11-24/h1-4,6,8-11H,5,7H2,(H2,21,23)
InChIKeyYYJYDZJQSJTZBJ-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.79
Rot. Bonds4

About 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 141181695) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID141181695
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccccc2CCn2ccnc2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3N4/c18-17(19,20)15-9-13(10-23-16(15)21)14-4-2-1-3-12(14)5-7-24-8-6-22-11-24/h1-4,6,8-11H,5,7H2,(H2,21,23)
InChIKeyYYJYDZJQSJTZBJ-UHFFFAOYSA-N
XLogP3.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine (CID 141181695) is 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccccc2CCn2ccnc2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YYJYDZJQSJTZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c18-17(19,20)15-9-13(10-23-16(15)21)14-4-2-1-3-12(14)5-7-24-8-6-22-11-24/h1-4,6,8-11H,5,7H2,(H2,21,23).
What are the key properties of 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 332.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-imidazol-1-ylethyl)phenyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 141181695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).