2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole

C19H16BrN3O — CID 3438113

IUPAC2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCOc1ccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)cc1
InChIInChI=1S/C19H16BrN3O/c1-22-18(14-5-9-16(24-2)10-6-14)12-23-11-17(21-19(22)23)13-3-7-15(20)8-4-13/h3-12H,1-2H3
InChIKeyNEOOBDYDICEZQU-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.78
Rot. Bonds3

About 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole

2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole (PubChem CID 3438113) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
PubChem CID3438113
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
SMILESCOc1ccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)cc1
InChIInChI=1S/C19H16BrN3O/c1-22-18(14-5-9-16(24-2)10-6-14)12-23-11-17(21-19(22)23)13-3-7-15(20)8-4-13/h3-12H,1-2H3
InChIKeyNEOOBDYDICEZQU-UHFFFAOYSA-N
XLogP4.78
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-7-methyl-6-(4-methylphenyl)imidazo[1,2-a]imidazole
CID 4552068
6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 19238090
6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
CID 4645289
7-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 117135502
5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 4000715
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole
CID 3482371
2-(4-bromophenyl)-5-[5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrrol-2-yl]-1-(4-methoxyphenyl)pyrrole
CID 86230996
4-(4-bromophenyl)-2-(6-methoxynaphthalen-2-yl)-1,3-selenazole
CID 135000855
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
5-(4-bromophenyl)-3-methylimidazo[1,2-b][1,2,4]triazole
CID 13380891
7-methyl-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]imidazole
CID 5028639

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
The IUPAC name of 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole (CID 3438113) is 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
The canonical SMILES for 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole is COc1ccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
The InChIKey is NEOOBDYDICEZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-22-18(14-5-9-16(24-2)10-6-14)12-23-11-17(21-19(22)23)13-3-7-15(20)8-4-13/h3-12H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole?
2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole has a molecular weight of 382.26 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(4-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole is sourced from PubChem (CID 3438113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).