N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine

C30H25Cl2N3 — CID 171351716

IUPACN-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine
SMILESCC1=C(c2ccccc2)N(/C(C)=N/c2ccc(Cl)cc2)C(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C30H25Cl2N3/c1-21-29(23-9-5-3-6-10-23)35(22(2)33-27-17-13-25(31)14-18-27)30(24-11-7-4-8-12-24)34(21)28-19-15-26(32)16-20-28/h3-20,30H,1-2H3/b33-22+
InChIKeyBOJIAIZAHFQYMA-STKMKYKTSA-N
MW498.46 g/mol
LogP8.95
Rot. Bonds4

About N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine

N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine (PubChem CID 171351716) has the molecular formula C30H25Cl2N3 and a molecular weight of 498.46 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine
PubChem CID171351716
Molecular FormulaC30H25Cl2N3
Molecular Weight498.46 g/mol
Exact Mass497.14
IUPAC NameN-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine
SMILESCC1=C(c2ccccc2)N(/C(C)=N/c2ccc(Cl)cc2)C(c2ccccc2)N1c1ccc(Cl)cc1
InChIInChI=1S/C30H25Cl2N3/c1-21-29(23-9-5-3-6-10-23)35(22(2)33-27-17-13-25(31)14-18-27)30(24-11-7-4-8-12-24)34(21)28-19-15-26(32)16-20-28/h3-20,30H,1-2H3/b33-22+
InChIKeyBOJIAIZAHFQYMA-STKMKYKTSA-N
XLogP8.95
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.46
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine 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-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine (CID 171351716) is N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine is CC1=C(c2ccccc2)N(/C(C)=N/c2ccc(Cl)cc2)C(c2ccccc2)N1c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine?
The InChIKey is BOJIAIZAHFQYMA-STKMKYKTSA-N. The full InChI is InChI=1S/C30H25Cl2N3/c1-21-29(23-9-5-3-6-10-23)35(22(2)33-27-17-13-25(31)14-18-27)30(24-11-7-4-8-12-24)34(21)28-19-15-26(32)16-20-28/h3-20,30H,1-2H3/b33-22+.
What are the key properties of N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine?
N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine has a molecular weight of 498.46 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-4-methyl-2,5-diphenyl-2H-imidazol-1-yl]ethanimine is sourced from PubChem (CID 171351716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).