7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole

C12H11Br2N3 — CID 57318501

IUPAC7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole
SMILESCc1cc(Br)c(N2C=CN3CCN=C32)c(Br)c1
InChIInChI=1S/C12H11Br2N3/c1-8-6-9(13)11(10(14)7-8)17-5-4-16-3-2-15-12(16)17/h4-7H,2-3H2,1H3
InChIKeyVZPAWRZFNSXUOS-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.48
Rot. Bonds1

About 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole

7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole (PubChem CID 57318501) has the molecular formula C12H11Br2N3 and a molecular weight of 357.05 g/mol. Its IUPAC name is 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole
PubChem CID57318501
Molecular FormulaC12H11Br2N3
Molecular Weight357.05 g/mol
Exact Mass354.93
IUPAC Name7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole
SMILESCc1cc(Br)c(N2C=CN3CCN=C32)c(Br)c1
InChIInChI=1S/C12H11Br2N3/c1-8-6-9(13)11(10(14)7-8)17-5-4-16-3-2-15-12(16)17/h4-7H,2-3H2,1H3
InChIKeyVZPAWRZFNSXUOS-UHFFFAOYSA-N
XLogP3.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
The IUPAC name of 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole (CID 57318501) is 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole.
What is the SMILES notation for 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
The canonical SMILES for 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole is Cc1cc(Br)c(N2C=CN3CCN=C32)c(Br)c1.
What is the InChIKey of 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
The InChIKey is VZPAWRZFNSXUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/c1-8-6-9(13)11(10(14)7-8)17-5-4-16-3-2-15-12(16)17/h4-7H,2-3H2,1H3.
What are the key properties of 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole has a molecular weight of 357.05 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dibromo-4-methylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole is sourced from PubChem (CID 57318501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).