[4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

C20H20F3N3O — CID 129139579

IUPAC[4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(C(F)(F)F)cn2CCOCc2ccccc2)cc1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)18-13-26(10-11-27-14-16-4-2-1-3-5-16)19(25-18)17-8-6-15(12-24)7-9-17/h1-9,13H,10-12,14,24H2
InChIKeyQEXJJIIITMVTQQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.24
Rot. Bonds7

About [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

[4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (PubChem CID 129139579) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
PubChem CID129139579
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name[4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(C(F)(F)F)cn2CCOCc2ccccc2)cc1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)18-13-26(10-11-27-14-16-4-2-1-3-5-16)19(25-18)17-8-6-15(12-24)7-9-17/h1-9,13H,10-12,14,24H2
InChIKeyQEXJJIIITMVTQQ-UHFFFAOYSA-N
XLogP4.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (CID 129139579) is [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is NCc1ccc(-c2nc(C(F)(F)F)cn2CCOCc2ccccc2)cc1.
What is the InChIKey of [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The InChIKey is QEXJJIIITMVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)18-13-26(10-11-27-14-16-4-2-1-3-5-16)19(25-18)17-8-6-15(12-24)7-9-17/h1-9,13H,10-12,14,24H2.
What are the key properties of [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
[4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine has a molecular weight of 375.39 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-phenylmethoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 129139579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).