6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride

C9H9BrCl2N2 — CID 75481344

IUPAC6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride
SMILESCl.Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C9H8BrClN2.ClH/c1-13-8-4-6(10)2-3-7(8)12-9(13)5-11;/h2-4H,5H2,1H3;1H
InChIKeyPMPZWXYTBDOECV-UHFFFAOYSA-N
MW296.00 g/mol
LogP3.50
Rot. Bonds1

About 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride

6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride (PubChem CID 75481344) has the molecular formula C9H9BrCl2N2 and a molecular weight of 296.00 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride
PubChem CID75481344
Molecular FormulaC9H9BrCl2N2
Molecular Weight296.00 g/mol
Exact Mass293.93
IUPAC Name6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride
SMILESCl.Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C9H8BrClN2.ClH/c1-13-8-4-6(10)2-3-7(8)12-9(13)5-11;/h2-4H,5H2,1H3;1H
InChIKeyPMPZWXYTBDOECV-UHFFFAOYSA-N
XLogP3.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.00
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride (CID 75481344) is 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride is Cl.Cn1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride?
The InChIKey is PMPZWXYTBDOECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2.ClH/c1-13-8-4-6(10)2-3-7(8)12-9(13)5-11;/h2-4H,5H2,1H3;1H.
What are the key properties of 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride?
6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride has a molecular weight of 296.00 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-methylbenzimidazole;hydrochloride is sourced from PubChem (CID 75481344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).