2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole

C23H28N2O — CID 46231801

IUPAC2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole
SMILESCCCn1c(-c2cc(-c3c(C)cccc3C)ccc2OC)nc(C)c1C
InChIInChI=1S/C23H28N2O/c1-7-13-25-18(5)17(4)24-23(25)20-14-19(11-12-21(20)26-6)22-15(2)9-8-10-16(22)3/h8-12,14H,7,13H2,1-6H3
InChIKeyYLYOFCABHCRWNJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.87
Rot. Bonds5

About 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole

2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole (PubChem CID 46231801) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole.

Molecular Properties

Compound Name2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole
PubChem CID46231801
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole
SMILESCCCn1c(-c2cc(-c3c(C)cccc3C)ccc2OC)nc(C)c1C
InChIInChI=1S/C23H28N2O/c1-7-13-25-18(5)17(4)24-23(25)20-14-19(11-12-21(20)26-6)22-15(2)9-8-10-16(22)3/h8-12,14H,7,13H2,1-6H3
InChIKeyYLYOFCABHCRWNJ-UHFFFAOYSA-N
XLogP5.87
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
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1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
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1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
CID 940002
2-(4-Methoxy-phenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 16682547
2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 74782
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
2-Ethyl-7-(4-methoxy-2,5-dimethylphenyl)-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44458897
1-[(2-Methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 830207
2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole
CID 3847246

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole?
The IUPAC name of 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole (CID 46231801) is 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole.
What is the SMILES notation for 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole?
The canonical SMILES for 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole is CCCn1c(-c2cc(-c3c(C)cccc3C)ccc2OC)nc(C)c1C.
What is the InChIKey of 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole?
The InChIKey is YLYOFCABHCRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-7-13-25-18(5)17(4)24-23(25)20-14-19(11-12-21(20)26-6)22-15(2)9-8-10-16(22)3/h8-12,14H,7,13H2,1-6H3.
What are the key properties of 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole?
2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole has a molecular weight of 348.49 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole is sourced from PubChem (CID 46231801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).