4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole

C18H18N2O — CID 6539900

IUPAC4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole
SMILESCOc1ccc(-c2cn(Cc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C18H18N2O/c1-14-3-5-15(6-4-14)11-20-12-18(19-13-20)16-7-9-17(21-2)10-8-16/h3-10,12-13H,11H2,1-2H3
InChIKeyXAEAKTBHLFKUKT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.92
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole

4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole (PubChem CID 6539900) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole
PubChem CID6539900
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole
SMILESCOc1ccc(-c2cn(Cc3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C18H18N2O/c1-14-3-5-15(6-4-14)11-20-12-18(19-13-20)16-7-9-17(21-2)10-8-16/h3-10,12-13H,11H2,1-2H3
InChIKeyXAEAKTBHLFKUKT-UHFFFAOYSA-N
XLogP3.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole (CID 6539900) is 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole is COc1ccc(-c2cn(Cc3ccc(C)cc3)cn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole?
The InChIKey is XAEAKTBHLFKUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-3-5-15(6-4-14)11-20-12-18(19-13-20)16-7-9-17(21-2)10-8-16/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole?
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole has a molecular weight of 278.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]imidazole is sourced from PubChem (CID 6539900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).