N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine

C17H15F3N4O — CID 42528467

IUPACN-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
SMILESFC(F)(F)c1cccc(Oc2ncccc2CNCc2cnc[nH]2)c1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)13-4-1-5-15(7-13)25-16-12(3-2-6-23-16)8-21-9-14-10-22-11-24-14/h1-7,10-11,21H,8-9H2,(H,22,24)
InChIKeyHGXUZSJYIWJFPS-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.91
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine

N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine (PubChem CID 42528467) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
PubChem CID42528467
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
SMILESFC(F)(F)c1cccc(Oc2ncccc2CNCc2cnc[nH]2)c1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)13-4-1-5-15(7-13)25-16-12(3-2-6-23-16)8-21-9-14-10-22-11-24-14/h1-7,10-11,21H,8-9H2,(H,22,24)
InChIKeyHGXUZSJYIWJFPS-UHFFFAOYSA-N
XLogP3.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092
N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 62763558
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
CID 42595685
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56738760
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine (CID 42528467) is N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine is FC(F)(F)c1cccc(Oc2ncccc2CNCc2cnc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
The InChIKey is HGXUZSJYIWJFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)13-4-1-5-15(7-13)25-16-12(3-2-6-23-16)8-21-9-14-10-22-11-24-14/h1-7,10-11,21H,8-9H2,(H,22,24).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine?
N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine has a molecular weight of 348.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 42528467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).