2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C26H24F3N3O — CID 135372865

IUPAC2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESC[C@H](Cn1cnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)c1)OCc1ccccc1
InChIInChI=1S/C26H24F3N3O/c1-19(33-17-20-7-3-2-4-8-20)15-32-16-25(30-18-32)23-9-5-6-10-24(23)31-22-13-11-21(12-14-22)26(27,28)29/h2-14,16,18-19,31H,15,17H2,1H3/t19-/m1/s1
InChIKeyOAJUHZCRFQNEEC-LJQANCHMSA-N
MW451.49 g/mol
LogP6.92
Rot. Bonds8

About 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 135372865) has the molecular formula C26H24F3N3O and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID135372865
Molecular FormulaC26H24F3N3O
Molecular Weight451.49 g/mol
Exact Mass451.19
IUPAC Name2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESC[C@H](Cn1cnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)c1)OCc1ccccc1
InChIInChI=1S/C26H24F3N3O/c1-19(33-17-20-7-3-2-4-8-20)15-32-16-25(30-18-32)23-9-5-6-10-24(23)31-22-13-11-21(12-14-22)26(27,28)29/h2-14,16,18-19,31H,15,17H2,1H3/t19-/m1/s1
InChIKeyOAJUHZCRFQNEEC-LJQANCHMSA-N
XLogP6.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 135372865) is 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline is C[C@H](Cn1cnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)c1)OCc1ccccc1.
What is the InChIKey of 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is OAJUHZCRFQNEEC-LJQANCHMSA-N. The full InChI is InChI=1S/C26H24F3N3O/c1-19(33-17-20-7-3-2-4-8-20)15-32-16-25(30-18-32)23-9-5-6-10-24(23)31-22-13-11-21(12-14-22)26(27,28)29/h2-14,16,18-19,31H,15,17H2,1H3/t19-/m1/s1.
What are the key properties of 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 451.49 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-2-phenylmethoxypropyl]imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).