4,5,6,7-tetrabromo-1H-benzimidazole

C7H2Br4N2 — CID 5149739

IUPAC4,5,6,7-tetrabromo-1H-benzimidazole
SMILESBrc1c(Br)c(Br)c2[nH]cnc2c1Br
InChIInChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChIKeyLOEIRDBRYBHAJB-UHFFFAOYSA-N
MW433.72 g/mol
LogP4.61
Rot. Bonds

About 4,5,6,7-tetrabromo-1H-benzimidazole

4,5,6,7-tetrabromo-1H-benzimidazole (PubChem CID 5149739) has the molecular formula C7H2Br4N2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 4,5,6,7-tetrabromo-1H-benzimidazole.

Molecular Properties

Compound Name4,5,6,7-tetrabromo-1H-benzimidazole
PubChem CID5149739
Molecular FormulaC7H2Br4N2
Molecular Weight433.72 g/mol
Exact Mass429.70
IUPAC Name4,5,6,7-tetrabromo-1H-benzimidazole
SMILESBrc1c(Br)c(Br)c2[nH]cnc2c1Br
InChIInChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)
InChIKeyLOEIRDBRYBHAJB-UHFFFAOYSA-N
XLogP4.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.72
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4,5,6,7-tetrabromo-1H-benzimidazole?
The IUPAC name of 4,5,6,7-tetrabromo-1H-benzimidazole (CID 5149739) is 4,5,6,7-tetrabromo-1H-benzimidazole.
What is the SMILES notation for 4,5,6,7-tetrabromo-1H-benzimidazole?
The canonical SMILES for 4,5,6,7-tetrabromo-1H-benzimidazole is Brc1c(Br)c(Br)c2[nH]cnc2c1Br.
What is the InChIKey of 4,5,6,7-tetrabromo-1H-benzimidazole?
The InChIKey is LOEIRDBRYBHAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13).
What are the key properties of 4,5,6,7-tetrabromo-1H-benzimidazole?
4,5,6,7-tetrabromo-1H-benzimidazole has a molecular weight of 433.72 g/mol, XLogP of 4.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrabromo-1H-benzimidazole is sourced from PubChem (CID 5149739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).