6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride

C8H8BrCl3N2 — CID 154729465

IUPAC6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.ClCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C8H6BrClN2.2ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;;/h1-3H,4H2,(H,11,12);2*1H
InChIKeyIMJZYOZGPUODOT-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.91
Rot. Bonds1

About 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride

6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride (PubChem CID 154729465) has the molecular formula C8H8BrCl3N2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
PubChem CID154729465
Molecular FormulaC8H8BrCl3N2
Molecular Weight318.43 g/mol
Exact Mass315.89
IUPAC Name6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride
SMILESCl.Cl.ClCc1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C8H6BrClN2.2ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;;/h1-3H,4H2,(H,11,12);2*1H
InChIKeyIMJZYOZGPUODOT-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromo-1H-benzimidazol-2-yl)propan-1-ol
CID 4162826
2-(chloromethyl)-6-ethyl-1H-benzimidazole
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6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
6-bromo-2-(propan-2-yloxymethyl)-1H-benzimidazole
CID 112603042
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336
6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348
6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
CID 64723733
6-bromo-2-(2-propoxyethyl)-1H-benzimidazole
CID 64723125
5-(6-bromo-1H-benzimidazol-2-yl)pentanoic acid
CID 54920063
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
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2-(chloromethyl)-5,6-diiodo-1H-benzimidazole
CID 118176409

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride?
The IUPAC name of 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride (CID 154729465) is 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride is Cl.Cl.ClCc1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride?
The InChIKey is IMJZYOZGPUODOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2.2ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;;/h1-3H,4H2,(H,11,12);2*1H.
What are the key properties of 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride?
6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride has a molecular weight of 318.43 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1H-benzimidazole;dihydrochloride is sourced from PubChem (CID 154729465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).