2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C27H23F3N2O2 — CID 59251249

IUPAC2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc4c(c3)CCO4)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C27H23F3N2O2/c1-26(2,33)24-16-32(25(31-24)21-5-3-4-6-22(21)27(28,29)30)20-10-7-17(8-11-20)18-9-12-23-19(15-18)13-14-34-23/h3-12,15-16,33H,13-14H2,1-2H3
InChIKeyUXJPYPAEPVHCFV-UHFFFAOYSA-N
MW464.49 g/mol
LogP6.39
Rot. Bonds4

About 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251249) has the molecular formula C27H23F3N2O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251249
Molecular FormulaC27H23F3N2O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc4c(c3)CCO4)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C27H23F3N2O2/c1-26(2,33)24-16-32(25(31-24)21-5-3-4-6-22(21)27(28,29)30)20-10-7-17(8-11-20)18-9-12-23-19(15-18)13-14-34-23/h3-12,15-16,33H,13-14H2,1-2H3
InChIKeyUXJPYPAEPVHCFV-UHFFFAOYSA-N
XLogP6.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251249) is 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccc4c(c3)CCO4)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is UXJPYPAEPVHCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O2/c1-26(2,33)24-16-32(25(31-24)21-5-3-4-6-22(21)27(28,29)30)20-10-7-17(8-11-20)18-9-12-23-19(15-18)13-14-34-23/h3-12,15-16,33H,13-14H2,1-2H3.
What are the key properties of 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 464.49 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).