1-benzyl-4-(4-methoxyphenyl)imidazole

C17H16N2O — CID 6539910

IUPAC1-benzyl-4-(4-methoxyphenyl)imidazole
SMILESCOc1ccc(-c2cn(Cc3ccccc3)cn2)cc1
InChIInChI=1S/C17H16N2O/c1-20-16-9-7-15(8-10-16)17-12-19(13-18-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyUJYVELWVAFQVEN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.61
Rot. Bonds4

About 1-benzyl-4-(4-methoxyphenyl)imidazole

1-benzyl-4-(4-methoxyphenyl)imidazole (PubChem CID 6539910) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-benzyl-4-(4-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-benzyl-4-(4-methoxyphenyl)imidazole
PubChem CID6539910
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-benzyl-4-(4-methoxyphenyl)imidazole
SMILESCOc1ccc(-c2cn(Cc3ccccc3)cn2)cc1
InChIInChI=1S/C17H16N2O/c1-20-16-9-7-15(8-10-16)17-12-19(13-18-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKeyUJYVELWVAFQVEN-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methoxyphenyl)imidazole?
The IUPAC name of 1-benzyl-4-(4-methoxyphenyl)imidazole (CID 6539910) is 1-benzyl-4-(4-methoxyphenyl)imidazole.
What is the SMILES notation for 1-benzyl-4-(4-methoxyphenyl)imidazole?
The canonical SMILES for 1-benzyl-4-(4-methoxyphenyl)imidazole is COc1ccc(-c2cn(Cc3ccccc3)cn2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methoxyphenyl)imidazole?
The InChIKey is UJYVELWVAFQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-16-9-7-15(8-10-16)17-12-19(13-18-17)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3.
What are the key properties of 1-benzyl-4-(4-methoxyphenyl)imidazole?
1-benzyl-4-(4-methoxyphenyl)imidazole has a molecular weight of 264.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methoxyphenyl)imidazole is sourced from PubChem (CID 6539910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).