1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole

C28H27N3O — CID 122209337

IUPAC1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole
SMILESCOc1ccc(Cn2cc(-c3ccccc3C)n3c(C)c(-c4ccc(C)cc4)nc23)cc1
InChIInChI=1S/C28H27N3O/c1-19-9-13-23(14-10-19)27-21(3)31-26(25-8-6-5-7-20(25)2)18-30(28(31)29-27)17-22-11-15-24(32-4)16-12-22/h5-16,18H,17H2,1-4H3
InChIKeyGBCVAAHFTBMLRQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.45
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole

1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole (PubChem CID 122209337) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole
PubChem CID122209337
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole
SMILESCOc1ccc(Cn2cc(-c3ccccc3C)n3c(C)c(-c4ccc(C)cc4)nc23)cc1
InChIInChI=1S/C28H27N3O/c1-19-9-13-23(14-10-19)27-21(3)31-26(25-8-6-5-7-20(25)2)18-30(28(31)29-27)17-22-11-15-24(32-4)16-12-22/h5-16,18H,17H2,1-4H3
InChIKeyGBCVAAHFTBMLRQ-UHFFFAOYSA-N
XLogP6.45
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole
CID 122209331
5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 53245544
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-8-methylpyrazolo[4,3-c]quinoline
CID 2135563
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
[1-[(4-methoxyphenyl)methyl]-4-methyl-3-(4-methylphenyl)pyrrol-2-yl] hydrogen carbonate
CID 68913001
3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione
CID 53254280
3-methoxy-1-[[4-(2-methylphenyl)phenyl]methyl]pyridine-2-thione
CID 71654678

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole (CID 122209337) is 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole is COc1ccc(Cn2cc(-c3ccccc3C)n3c(C)c(-c4ccc(C)cc4)nc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
The InChIKey is GBCVAAHFTBMLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-19-9-13-23(14-10-19)27-21(3)31-26(25-8-6-5-7-20(25)2)18-30(28(31)29-27)17-22-11-15-24(32-4)16-12-22/h5-16,18H,17H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole?
1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole has a molecular weight of 421.54 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole is sourced from PubChem (CID 122209337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).