1-benzyl-2-(chloromethyl)imidazole;hydrochloride

C11H12Cl2N2 — CID 2779243

IUPAC1-benzyl-2-(chloromethyl)imidazole;hydrochloride
SMILESCl.ClCc1nccn1Cc1ccccc1
InChIInChI=1S/C11H11ClN2.ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;/h1-7H,8-9H2;1H
InChIKeyIOOCHXMDSFPOGL-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.09
Rot. Bonds3

About 1-benzyl-2-(chloromethyl)imidazole;hydrochloride

1-benzyl-2-(chloromethyl)imidazole;hydrochloride (PubChem CID 2779243) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-benzyl-2-(chloromethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2-(chloromethyl)imidazole;hydrochloride
PubChem CID2779243
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name1-benzyl-2-(chloromethyl)imidazole;hydrochloride
SMILESCl.ClCc1nccn1Cc1ccccc1
InChIInChI=1S/C11H11ClN2.ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;/h1-7H,8-9H2;1H
InChIKeyIOOCHXMDSFPOGL-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.09
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 1-benzyl-2-(chloromethyl)imidazole;hydrochloride?
The IUPAC name of 1-benzyl-2-(chloromethyl)imidazole;hydrochloride (CID 2779243) is 1-benzyl-2-(chloromethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-benzyl-2-(chloromethyl)imidazole;hydrochloride?
The canonical SMILES for 1-benzyl-2-(chloromethyl)imidazole;hydrochloride is Cl.ClCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(chloromethyl)imidazole;hydrochloride?
The InChIKey is IOOCHXMDSFPOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2.ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;/h1-7H,8-9H2;1H.
What are the key properties of 1-benzyl-2-(chloromethyl)imidazole;hydrochloride?
1-benzyl-2-(chloromethyl)imidazole;hydrochloride has a molecular weight of 243.14 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(chloromethyl)imidazole;hydrochloride is sourced from PubChem (CID 2779243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).