2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine

C15H18F3N3 — CID 65230757

IUPAC2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C15H18F3N3/c1-2-4-11(8-19)14-20-9-13(21-14)10-5-3-6-12(7-10)15(16,17)18/h3,5-7,9,11H,2,4,8,19H2,1H3,(H,20,21)
InChIKeyVDYAMFFLDOKQIK-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.94
Rot. Bonds5

About 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine

2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 65230757) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
PubChem CID65230757
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C15H18F3N3/c1-2-4-11(8-19)14-20-9-13(21-14)10-5-3-6-12(7-10)15(16,17)18/h3,5-7,9,11H,2,4,8,19H2,1H3,(H,20,21)
InChIKeyVDYAMFFLDOKQIK-UHFFFAOYSA-N
XLogP3.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine (CID 65230757) is 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine is CCCC(CN)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is VDYAMFFLDOKQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-4-11(8-19)14-20-9-13(21-14)10-5-3-6-12(7-10)15(16,17)18/h3,5-7,9,11H,2,4,8,19H2,1H3,(H,20,21).
What are the key properties of 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine?
2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 65230757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).