2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C27H22F3N3O — CID 59251527

IUPAC2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc4[nH]ccc34)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C27H22F3N3O/c1-26(2,34)24-16-33(25(32-24)21-6-3-4-8-22(21)27(28,29)30)18-12-10-17(11-13-18)19-7-5-9-23-20(19)14-15-31-23/h3-16,31,34H,1-2H3
InChIKeySOTYDGYJNKKBGK-UHFFFAOYSA-N
MW461.49 g/mol
LogP6.93
Rot. Bonds4

About 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251527) has the molecular formula C27H22F3N3O and a molecular weight of 461.49 g/mol. Its IUPAC name is 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251527
Molecular FormulaC27H22F3N3O
Molecular Weight461.49 g/mol
Exact Mass461.17
IUPAC Name2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc4[nH]ccc34)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C27H22F3N3O/c1-26(2,34)24-16-33(25(32-24)21-6-3-4-8-22(21)27(28,29)30)18-12-10-17(11-13-18)19-7-5-9-23-20(19)14-15-31-23/h3-16,31,34H,1-2H3
InChIKeySOTYDGYJNKKBGK-UHFFFAOYSA-N
XLogP6.93
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251527) is 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3cccc4[nH]ccc34)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is SOTYDGYJNKKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O/c1-26(2,34)24-16-33(25(32-24)21-6-3-4-8-22(21)27(28,29)30)18-12-10-17(11-13-18)19-7-5-9-23-20(19)14-15-31-23/h3-16,31,34H,1-2H3.
What are the key properties of 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 461.49 g/mol, XLogP of 6.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1H-indol-4-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).