1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine

C12H13F3N4 — CID 146144972

IUPAC1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine
SMILESCC(NCc1ccnc(C(F)(F)F)c1)c1cnc[nH]1
InChIInChI=1S/C12H13F3N4/c1-8(10-6-16-7-19-10)18-5-9-2-3-17-11(4-9)12(13,14)15/h2-4,6-8,18H,5H2,1H3,(H,16,19)
InChIKeyJFVKJRWQAWBMGF-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.67
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine

1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine (PubChem CID 146144972) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine
PubChem CID146144972
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine
SMILESCC(NCc1ccnc(C(F)(F)F)c1)c1cnc[nH]1
InChIInChI=1S/C12H13F3N4/c1-8(10-6-16-7-19-10)18-5-9-2-3-17-11(4-9)12(13,14)15/h2-4,6-8,18H,5H2,1H3,(H,16,19)
InChIKeyJFVKJRWQAWBMGF-UHFFFAOYSA-N
XLogP2.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine (CID 146144972) is 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine is CC(NCc1ccnc(C(F)(F)F)c1)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is JFVKJRWQAWBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-8(10-6-16-7-19-10)18-5-9-2-3-17-11(4-9)12(13,14)15/h2-4,6-8,18H,5H2,1H3,(H,16,19).
What are the key properties of 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine?
1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 270.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 146144972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).