2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol

C39H33F3N2O2 — CID 18668527

IUPAC2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C39H33F3N2O2/c1-28(2)38(45,34-20-12-13-30(25-34)29-21-23-35(24-22-29)46-39(40,41)42)36-26-44(27-43-36)37(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-28,45H,1-2H3
InChIKeyVBIQFENBIZZOFX-UHFFFAOYSA-N
MW618.70 g/mol
LogP9.18
Rot. Bonds9

About 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol

2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol (PubChem CID 18668527) has the molecular formula C39H33F3N2O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol
PubChem CID18668527
Molecular FormulaC39H33F3N2O2
Molecular Weight618.70 g/mol
Exact Mass618.25
IUPAC Name2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(C)C(O)(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C39H33F3N2O2/c1-28(2)38(45,34-20-12-13-30(25-34)29-21-23-35(24-22-29)46-39(40,41)42)36-26-44(27-43-36)37(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-28,45H,1-2H3
InChIKeyVBIQFENBIZZOFX-UHFFFAOYSA-N
XLogP9.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-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-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol (CID 18668527) is 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol is CC(C)C(O)(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol?
The InChIKey is VBIQFENBIZZOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33F3N2O2/c1-28(2)38(45,34-20-12-13-30(25-34)29-21-23-35(24-22-29)46-39(40,41)42)36-26-44(27-43-36)37(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-28,45H,1-2H3.
What are the key properties of 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol?
2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol has a molecular weight of 618.70 g/mol, XLogP of 9.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1-(1-tritylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 18668527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).