2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole

C8H5Br2IN2 — CID 130924477

IUPAC2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole
SMILESBrCc1ccc(I)c2[nH]c(Br)nc12
InChIInChI=1S/C8H5Br2IN2/c9-3-4-1-2-5(11)7-6(4)12-8(10)13-7/h1-2H,3H2,(H,12,13)
InChIKeyZVOWTKLULDOBDX-UHFFFAOYSA-N
MW415.85 g/mol
LogP3.82
Rot. Bonds1

About 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole

2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole (PubChem CID 130924477) has the molecular formula C8H5Br2IN2 and a molecular weight of 415.85 g/mol. Its IUPAC name is 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole
PubChem CID130924477
Molecular FormulaC8H5Br2IN2
Molecular Weight415.85 g/mol
Exact Mass413.79
IUPAC Name2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole
SMILESBrCc1ccc(I)c2[nH]c(Br)nc12
InChIInChI=1S/C8H5Br2IN2/c9-3-4-1-2-5(11)7-6(4)12-8(10)13-7/h1-2H,3H2,(H,12,13)
InChIKeyZVOWTKLULDOBDX-UHFFFAOYSA-N
XLogP3.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-(bromomethyl)-3H-benzimidazole-2,4-diamine
CID 130780242
2-bromo-1-(bromomethyl)-3-fluoro-4-iodobenzene
CID 98041507
2-fluoro-4,7-diiodo-1H-benzimidazole
CID 131194930
7-iodo-2,4-dimethyl-1H-benzimidazole
CID 133055753
2-bromo-1-(bromomethyl)-4-iodo-3-(trifluoromethyl)benzene
CID 171002696
2-(bromomethyl)-5-iodo-1H-benzimidazol-4-ol
CID 130779520
3-(bromomethyl)-6-fluoro-2-iodopyridine
CID 130881844
2,6-dibromo-3-(bromomethyl)pyridine
CID 817159
2-bromo-7-fluoro-4-methyl-1H-benzimidazole
CID 130051800
2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole
CID 18966898
2-bromo-4-(chloromethyl)-1H-benzimidazole
CID 130968724
4-(chloromethyl)-7-iodo-1H-benzimidazole
CID 130934090

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole?
The IUPAC name of 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole (CID 130924477) is 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole.
What is the SMILES notation for 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole?
The canonical SMILES for 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole is BrCc1ccc(I)c2[nH]c(Br)nc12.
What is the InChIKey of 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole?
The InChIKey is ZVOWTKLULDOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2IN2/c9-3-4-1-2-5(11)7-6(4)12-8(10)13-7/h1-2H,3H2,(H,12,13).
What are the key properties of 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole?
2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole has a molecular weight of 415.85 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole is sourced from PubChem (CID 130924477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).