(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol

C26H24F3N3O2 — CID 16720765

IUPAC(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ncc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C26H24F3N3O2/c1-25(30,16-33)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)34-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14,33H,15-16,30H2,1H3,(H,31,32)/t25-/m0/s1
InChIKeyNQPNQYMFNRJFNX-VWLOTQADSA-N
MW467.49 g/mol
LogP5.51
Rot. Bonds7

About (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol

(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol (PubChem CID 16720765) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol
PubChem CID16720765
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Name(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ncc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C26H24F3N3O2/c1-25(30,16-33)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)34-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14,33H,15-16,30H2,1H3,(H,31,32)/t25-/m0/s1
InChIKeyNQPNQYMFNRJFNX-VWLOTQADSA-N
XLogP5.51
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol (CID 16720765) is (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol is C[C@](N)(CO)c1ncc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)[nH]1.
What is the InChIKey of (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is NQPNQYMFNRJFNX-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-25(30,16-33)24-31-14-22(32-24)20-11-12-23(21(13-20)26(27,28)29)34-15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-14,33H,15-16,30H2,1H3,(H,31,32)/t25-/m0/s1.
What are the key properties of (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol?
(2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 467.49 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 16720765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).