2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole

C20H19N3O — CID 4552068

IUPAC2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole
SMILESCOc1ccc(-c2cn3cc(-c4ccc(C)cc4)n(C)c3n2)cc1
InChIInChI=1S/C20H19N3O/c1-14-4-6-16(7-5-14)19-13-23-12-18(21-20(23)22(19)2)15-8-10-17(24-3)11-9-15/h4-13H,1-3H3
InChIKeyVGBKNBDUJJIXBN-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.32
Rot. Bonds3

About 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole

2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole (PubChem CID 4552068) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole
PubChem CID4552068
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole
SMILESCOc1ccc(-c2cn3cc(-c4ccc(C)cc4)n(C)c3n2)cc1
InChIInChI=1S/C20H19N3O/c1-14-4-6-16(7-5-14)19-13-23-12-18(21-20(23)22(19)2)15-8-10-17(24-3)11-9-15/h4-13H,1-3H3
InChIKeyVGBKNBDUJJIXBN-UHFFFAOYSA-N
XLogP4.32
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole (CID 4552068) is 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole is COc1ccc(-c2cn3cc(-c4ccc(C)cc4)n(C)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
The InChIKey is VGBKNBDUJJIXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-4-6-16(7-5-14)19-13-23-12-18(21-20(23)22(19)2)15-8-10-17(24-3)11-9-15/h4-13H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole has a molecular weight of 317.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole is sourced from PubChem (CID 4552068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).