2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C28H27F3N2O2 — CID 59251293

IUPAC2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)Oc1cccc(-c2cccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C28H27F3N2O2/c1-18(2)35-22-12-8-10-20(16-22)19-9-7-11-21(15-19)33-17-25(27(3,4)34)32-26(33)23-13-5-6-14-24(23)28(29,30)31/h5-18,34H,1-4H3
InChIKeyNPNDGOIOAPIYPV-UHFFFAOYSA-N
MW480.53 g/mol
LogP7.24
Rot. Bonds6

About 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251293) has the molecular formula C28H27F3N2O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251293
Molecular FormulaC28H27F3N2O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)Oc1cccc(-c2cccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C28H27F3N2O2/c1-18(2)35-22-12-8-10-20(16-22)19-9-7-11-21(15-19)33-17-25(27(3,4)34)32-26(33)23-13-5-6-14-24(23)28(29,30)31/h5-18,34H,1-4H3
InChIKeyNPNDGOIOAPIYPV-UHFFFAOYSA-N
XLogP7.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251293) is 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)Oc1cccc(-c2cccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c2)c1.
What is the InChIKey of 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is NPNDGOIOAPIYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O2/c1-18(2)35-22-12-8-10-20(16-22)19-9-7-11-21(15-19)33-17-25(27(3,4)34)32-26(33)23-13-5-6-14-24(23)28(29,30)31/h5-18,34H,1-4H3.
What are the key properties of 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 480.53 g/mol, XLogP of 7.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(3-propan-2-yloxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).