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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Related Compounds

4-[[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]methyl]benzoic acid
CID 122030227
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
N-(1H-imidazol-2-ylmethyl)-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119111095
3-[(1H-imidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 64548372
(2R)-2-amino-3-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 142480215
3,3,3-trifluoro-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 63226322
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915084
N-(1H-imidazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 119126165
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540517
6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
CID 37298369
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119847157

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).