2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride

C10H12Cl2N2O2 — CID 75481538

IUPAC2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
SMILESCOc1cc2nc(CCl)[nH]c2cc1OC.Cl
InChIInChI=1S/C10H11ClN2O2.ClH/c1-14-8-3-6-7(4-9(8)15-2)13-10(5-11)12-6;/h3-4H,5H2,1-2H3,(H,12,13);1H
InChIKeyWKHXKKNTGLVTOA-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.74
Rot. Bonds3

About 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride

2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride (PubChem CID 75481538) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
PubChem CID75481538
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
SMILESCOc1cc2nc(CCl)[nH]c2cc1OC.Cl
InChIInChI=1S/C10H11ClN2O2.ClH/c1-14-8-3-6-7(4-9(8)15-2)13-10(5-11)12-6;/h3-4H,5H2,1-2H3,(H,12,13);1H
InChIKeyWKHXKKNTGLVTOA-UHFFFAOYSA-N
XLogP2.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
2-[(3-chlorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazole
CID 62504109
1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64671048
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
CID 82336811
2-(chloromethyl)-5,6-diiodo-1H-benzimidazole
CID 118176409
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570586
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456519
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334
2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole
CID 130053126

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride?
The IUPAC name of 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride (CID 75481538) is 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride is COc1cc2nc(CCl)[nH]c2cc1OC.Cl.
What is the InChIKey of 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride?
The InChIKey is WKHXKKNTGLVTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2.ClH/c1-14-8-3-6-7(4-9(8)15-2)13-10(5-11)12-6;/h3-4H,5H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride?
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride has a molecular weight of 263.12 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 75481538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).