5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole

C27H28N2O — CID 90713959

IUPAC5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole
SMILESCc1ccc(COC(c2cccc(-c3ccccc3C)c2)c2cncn2C)cc1C
InChIInChI=1S/C27H28N2O/c1-19-12-13-22(14-21(19)3)17-30-27(26-16-28-18-29(26)4)24-10-7-9-23(15-24)25-11-6-5-8-20(25)2/h5-16,18,27H,17H2,1-4H3
InChIKeyXDBKOTUMAUQYAX-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.32
Rot. Bonds6

About 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole

5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole (PubChem CID 90713959) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole
PubChem CID90713959
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole
SMILESCc1ccc(COC(c2cccc(-c3ccccc3C)c2)c2cncn2C)cc1C
InChIInChI=1S/C27H28N2O/c1-19-12-13-22(14-21(19)3)17-30-27(26-16-28-18-29(26)4)24-10-7-9-23(15-24)25-11-6-5-8-20(25)2/h5-16,18,27H,17H2,1-4H3
InChIKeyXDBKOTUMAUQYAX-UHFFFAOYSA-N
XLogP6.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole 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 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole?
The IUPAC name of 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole (CID 90713959) is 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole?
The canonical SMILES for 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole is Cc1ccc(COC(c2cccc(-c3ccccc3C)c2)c2cncn2C)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole?
The InChIKey is XDBKOTUMAUQYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-19-12-13-22(14-21(19)3)17-30-27(26-16-28-18-29(26)4)24-10-7-9-23(15-24)25-11-6-5-8-20(25)2/h5-16,18,27H,17H2,1-4H3.
What are the key properties of 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole?
5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole has a molecular weight of 396.53 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)methoxy-[3-(2-methylphenyl)phenyl]methyl]-1-methylimidazole is sourced from PubChem (CID 90713959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).