2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C28H27F3N2O3 — CID 90377927

IUPAC2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCOc1cc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c(C)c2)ccc1CO
InChIInChI=1S/C28H27F3N2O3/c1-17-13-18(19-9-10-20(16-34)24(14-19)36-4)11-12-23(17)33-15-25(27(2,3)35)32-26(33)21-7-5-6-8-22(21)28(29,30)31/h5-15,34-35H,16H2,1-4H3
InChIKeyCPLKXOQTCIHTGP-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.26
Rot. Bonds6

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

2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 90377927) has the molecular formula C28H27F3N2O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID90377927
Molecular FormulaC28H27F3N2O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC Name2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCOc1cc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c(C)c2)ccc1CO
InChIInChI=1S/C28H27F3N2O3/c1-17-13-18(19-9-10-20(16-34)24(14-19)36-4)11-12-23(17)33-15-25(27(2,3)35)32-26(33)21-7-5-6-8-22(21)28(29,30)31/h5-15,34-35H,16H2,1-4H3
InChIKeyCPLKXOQTCIHTGP-UHFFFAOYSA-N
XLogP6.26
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 90377927) is 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is COc1cc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c(C)c2)ccc1CO.
What is the InChIKey of 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is CPLKXOQTCIHTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O3/c1-17-13-18(19-9-10-20(16-34)24(14-19)36-4)11-12-23(17)33-15-25(27(2,3)35)32-26(33)21-7-5-6-8-22(21)28(29,30)31/h5-15,34-35H,16H2,1-4H3.
What are the key properties of 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 496.53 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 90377927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).