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

C27H25N3O — CID 122209331

IUPAC1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole
SMILESCOc1ccc(Cn2cc(-c3ccccc3)n3c(C)c(-c4ccc(C)cc4)nc23)cc1
InChIInChI=1S/C27H25N3O/c1-19-9-13-23(14-10-19)26-20(2)30-25(22-7-5-4-6-8-22)18-29(27(30)28-26)17-21-11-15-24(31-3)16-12-21/h4-16,18H,17H2,1-3H3
InChIKeyGFWDSRTVWOAYRU-UHFFFAOYSA-N
MW407.52 g/mol
LogP6.14
Rot. Bonds5

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

1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole (PubChem CID 122209331) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole
PubChem CID122209331
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole
SMILESCOc1ccc(Cn2cc(-c3ccccc3)n3c(C)c(-c4ccc(C)cc4)nc23)cc1
InChIInChI=1S/C27H25N3O/c1-19-9-13-23(14-10-19)26-20(2)30-25(22-7-5-4-6-8-22)18-29(27(30)28-26)17-21-11-15-24(31-3)16-12-21/h4-16,18H,17H2,1-3H3
InChIKeyGFWDSRTVWOAYRU-UHFFFAOYSA-N
XLogP6.14
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5-methyl-3-(2-methylphenyl)-6-(4-methylphenyl)imidazo[1,2-a]imidazole
CID 122209337
5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 53245544
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 4194648
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
5-chloro-1-[(4-methoxyphenyl)methyl]-3-naphthalen-2-ylpyrazin-2-one
CID 23629498
2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol
CID 3693132
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
1-benzyl-2-(4-methylphenyl)-4-phenylimidazole
CID 163216980
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole (CID 122209331) is 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole is COc1ccc(Cn2cc(-c3ccccc3)n3c(C)c(-c4ccc(C)cc4)nc23)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole?
The InChIKey is GFWDSRTVWOAYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-19-9-13-23(14-10-19)26-20(2)30-25(22-7-5-4-6-8-22)18-29(27(30)28-26)17-21-11-15-24(31-3)16-12-21/h4-16,18H,17H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole?
1-[(4-methoxyphenyl)methyl]-5-methyl-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole has a molecular weight of 407.52 g/mol, XLogP of 6.14, 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-6-(4-methylphenyl)-3-phenylimidazo[1,2-a]imidazole is sourced from PubChem (CID 122209331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).