N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C12H13F3N4O — CID 119111131

IUPACN-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESFC(F)(F)COc1ncccc1CNCc1ncc[nH]1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)8-20-11-9(2-1-3-19-11)6-16-7-10-17-4-5-18-10/h1-5,16H,6-8H2,(H,17,18)
InChIKeyZUDMXBUHZUKUFX-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.04
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 119111131) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID119111131
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESFC(F)(F)COc1ncccc1CNCc1ncc[nH]1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)8-20-11-9(2-1-3-19-11)6-16-7-10-17-4-5-18-10/h1-5,16H,6-8H2,(H,17,18)
InChIKeyZUDMXBUHZUKUFX-UHFFFAOYSA-N
XLogP2.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 119111131) is N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is FC(F)(F)COc1ncccc1CNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is ZUDMXBUHZUKUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c13-12(14,15)8-20-11-9(2-1-3-19-11)6-16-7-10-17-4-5-18-10/h1-5,16H,6-8H2,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 286.26 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 119111131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).