4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole

C24H22N2O — CID 1110224

IUPAC4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C24H22N2O/c1-16-12-13-19(14-17(16)2)23-22(18-8-5-4-6-9-18)25-24(26-23)20-10-7-11-21(15-20)27-3/h4-15H,1-3H3,(H,25,26)
InChIKeyLSXNLESDRIFIOZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.04
Rot. Bonds4

About 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole

4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole (PubChem CID 1110224) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
PubChem CID1110224
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C24H22N2O/c1-16-12-13-19(14-17(16)2)23-22(18-8-5-4-6-9-18)25-24(26-23)20-10-7-11-21(15-20)27-3/h4-15H,1-3H3,(H,25,26)
InChIKeyLSXNLESDRIFIOZ-UHFFFAOYSA-N
XLogP6.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole (CID 1110224) is 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole is COc1cccc(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole?
The InChIKey is LSXNLESDRIFIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-16-12-13-19(14-17(16)2)23-22(18-8-5-4-6-9-18)25-24(26-23)20-10-7-11-21(15-20)27-3/h4-15H,1-3H3,(H,25,26).
What are the key properties of 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole?
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole has a molecular weight of 354.45 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole is sourced from PubChem (CID 1110224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).