5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole

C10H7Br4N3 — CID 5326978

IUPAC5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCN1CCn2c1nc1c(Br)c(Br)c(Br)c(Br)c12
InChIInChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3
InChIKeyQHCZROILDUNGRT-UHFFFAOYSA-N
MW488.80 g/mol
LogP4.54
Rot. Bonds

About 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole

5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 5326978) has the molecular formula C10H7Br4N3 and a molecular weight of 488.80 g/mol. Its IUPAC name is 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID5326978
Molecular FormulaC10H7Br4N3
Molecular Weight488.80 g/mol
Exact Mass484.74
IUPAC Name5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCN1CCn2c1nc1c(Br)c(Br)c(Br)c(Br)c12
InChIInChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3
InChIKeyQHCZROILDUNGRT-UHFFFAOYSA-N
XLogP4.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 5326978) is 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole is CN1CCn2c1nc1c(Br)c(Br)c(Br)c(Br)c12.
What is the InChIKey of 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is QHCZROILDUNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br4N3/c1-16-2-3-17-9-7(14)5(12)4(11)6(13)8(9)15-10(16)17/h2-3H2,1H3.
What are the key properties of 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 488.80 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrabromo-3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 5326978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).