N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine

C26H21F6N3 — CID 12824717

IUPACN-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine
SMILESCc1cccc(C)c1N1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)/C1=N\Cc1ccccc1
InChIInChI=1S/C26H21F6N3/c1-17-10-9-11-18(2)21(17)35-22(20-14-7-4-8-15-20)34-24(25(27,28)29,26(30,31)32)23(35)33-16-19-12-5-3-6-13-19/h3-15H,16H2,1-2H3/b33-23+
InChIKeyWRCAIMXPNAMJGW-GZZLJNBRSA-N
MW489.46 g/mol
LogP7.03
Rot. Bonds4

About N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine

N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine (PubChem CID 12824717) has the molecular formula C26H21F6N3 and a molecular weight of 489.46 g/mol. Its IUPAC name is N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine.

Molecular Properties

Compound NameN-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine
PubChem CID12824717
Molecular FormulaC26H21F6N3
Molecular Weight489.46 g/mol
Exact Mass489.16
IUPAC NameN-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine
SMILESCc1cccc(C)c1N1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)/C1=N\Cc1ccccc1
InChIInChI=1S/C26H21F6N3/c1-17-10-9-11-18(2)21(17)35-22(20-14-7-4-8-15-20)34-24(25(27,28)29,26(30,31)32)23(35)33-16-19-12-5-3-6-13-19/h3-15H,16H2,1-2H3/b33-23+
InChIKeyWRCAIMXPNAMJGW-GZZLJNBRSA-N
XLogP7.03
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine 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 N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine?
The IUPAC name of N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine (CID 12824717) is N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine.
What is the SMILES notation for N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine?
The canonical SMILES for N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine is Cc1cccc(C)c1N1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine?
The InChIKey is WRCAIMXPNAMJGW-GZZLJNBRSA-N. The full InChI is InChI=1S/C26H21F6N3/c1-17-10-9-11-18(2)21(17)35-22(20-14-7-4-8-15-20)34-24(25(27,28)29,26(30,31)32)23(35)33-16-19-12-5-3-6-13-19/h3-15H,16H2,1-2H3/b33-23+.
What are the key properties of N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine?
N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine has a molecular weight of 489.46 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,6-dimethylphenyl)-2-phenyl-5,5-bis(trifluoromethyl)imidazol-4-imine is sourced from PubChem (CID 12824717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).