[4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol

C23H20F3NO2 — CID 86595996

IUPAC[4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol
SMILESCC(=NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1
InChIInChI=1S/C23H20F3NO2/c1-16(19-10-7-17(14-28)8-11-19)27-29-15-18-9-12-21(20-5-3-2-4-6-20)22(13-18)23(24,25)26/h2-13,28H,14-15H2,1H3
InChIKeyBKGHNCCYOCVGNU-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.81
Rot. Bonds6

About [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol

[4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol (PubChem CID 86595996) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol
PubChem CID86595996
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name[4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol
SMILESCC(=NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1
InChIInChI=1S/C23H20F3NO2/c1-16(19-10-7-17(14-28)8-11-19)27-29-15-18-9-12-21(20-5-3-2-4-6-20)22(13-18)23(24,25)26/h2-13,28H,14-15H2,1H3
InChIKeyBKGHNCCYOCVGNU-UHFFFAOYSA-N
XLogP5.81
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol 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 [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol?
The IUPAC name of [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol (CID 86595996) is [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol.
What is the SMILES notation for [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol?
The canonical SMILES for [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol is CC(=NOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CO)cc1.
What is the InChIKey of [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol?
The InChIKey is BKGHNCCYOCVGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-16(19-10-7-17(14-28)8-11-19)27-29-15-18-9-12-21(20-5-3-2-4-6-20)22(13-18)23(24,25)26/h2-13,28H,14-15H2,1H3.
What are the key properties of [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol?
[4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol has a molecular weight of 399.41 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[C-methyl-N-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]methanol is sourced from PubChem (CID 86595996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).