[2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol

C26H24F3N3O2 — CID 70791591

IUPAC[2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol
SMILESCOc1ccc(C(Cc2ccc(C(F)(F)F)cc2)c2nc(N)[nH]c2C(O)c2ccccc2)cc1
InChIInChI=1S/C26H24F3N3O2/c1-34-20-13-9-17(10-14-20)21(15-16-7-11-19(12-8-16)26(27,28)29)22-23(32-25(30)31-22)24(33)18-5-3-2-4-6-18/h2-14,21,24,33H,15H2,1H3,(H3,30,31,32)
InChIKeyPEISCVAISDVDHE-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.48
Rot. Bonds7

About [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol

[2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol (PubChem CID 70791591) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol
PubChem CID70791591
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Name[2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol
SMILESCOc1ccc(C(Cc2ccc(C(F)(F)F)cc2)c2nc(N)[nH]c2C(O)c2ccccc2)cc1
InChIInChI=1S/C26H24F3N3O2/c1-34-20-13-9-17(10-14-20)21(15-16-7-11-19(12-8-16)26(27,28)29)22-23(32-25(30)31-22)24(33)18-5-3-2-4-6-18/h2-14,21,24,33H,15H2,1H3,(H3,30,31,32)
InChIKeyPEISCVAISDVDHE-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene
CID 154713677
[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
CID 3625167
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1,1,1-trifluoro-2-(4-methoxyphenyl)-4,4-diphenylbutan-2-ol
CID 168720238
methane;6-[1-(4-methoxyphenyl)-2-phenylethyl]pyridin-2-amine
CID 143272438
2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
CID 162539208
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R)-1-N-[1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-N-methyl-1-phenylprop-2-ene-1,2-diamine
CID 70293456
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol?
The IUPAC name of [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol (CID 70791591) is [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol.
What is the SMILES notation for [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol?
The canonical SMILES for [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol is COc1ccc(C(Cc2ccc(C(F)(F)F)cc2)c2nc(N)[nH]c2C(O)c2ccccc2)cc1.
What is the InChIKey of [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol?
The InChIKey is PEISCVAISDVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-34-20-13-9-17(10-14-20)21(15-16-7-11-19(12-8-16)26(27,28)29)22-23(32-25(30)31-22)24(33)18-5-3-2-4-6-18/h2-14,21,24,33H,15H2,1H3,(H3,30,31,32).
What are the key properties of [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol?
[2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol has a molecular weight of 467.49 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazol-5-yl]-phenylmethanol is sourced from PubChem (CID 70791591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).