4,6-dibromo-2-(chloromethyl)-1H-benzimidazole

C8H5Br2ClN2 — CID 11174733

IUPAC4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
SMILESClCc1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C8H5Br2ClN2/c9-4-1-5(10)8-6(2-4)12-7(3-11)13-8/h1-2H,3H2,(H,12,13)
InChIKeyXZFVFGWVVMMZDU-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.83
Rot. Bonds1

About 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole

4,6-dibromo-2-(chloromethyl)-1H-benzimidazole (PubChem CID 11174733) has the molecular formula C8H5Br2ClN2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
PubChem CID11174733
Molecular FormulaC8H5Br2ClN2
Molecular Weight324.40 g/mol
Exact Mass321.85
IUPAC Name4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
SMILESClCc1nc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C8H5Br2ClN2/c9-4-1-5(10)8-6(2-4)12-7(3-11)13-8/h1-2H,3H2,(H,12,13)
InChIKeyXZFVFGWVVMMZDU-UHFFFAOYSA-N
XLogP3.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole?
The IUPAC name of 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole (CID 11174733) is 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole is ClCc1nc2c(Br)cc(Br)cc2[nH]1.
What is the InChIKey of 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole?
The InChIKey is XZFVFGWVVMMZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2ClN2/c9-4-1-5(10)8-6(2-4)12-7(3-11)13-8/h1-2H,3H2,(H,12,13).
What are the key properties of 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole?
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole has a molecular weight of 324.40 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(chloromethyl)-1H-benzimidazole is sourced from PubChem (CID 11174733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).